USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 620 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: 1 23 TYR OH : rot -140:sc= -0.522 USER MOD Set 1.2: 2 23 TYR OH : rot -175:sc= -2.31! USER MOD Set 2.1: 1 58 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: 2 53 GLN :FLIP amide:sc= -11.9! C(o=-18!,f=-17!) USER MOD Set 2.3: 2 58 THR OG1 : rot -170:sc= -4.91! USER MOD Single : 1 25 HIS : no HD1:sc= 0 X(o=0,f=-0.045) USER MOD Single : 1 27 THR OG1 : rot 180:sc=-0.00764 USER MOD Single : 1 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 32 ASN :FLIP amide:sc= -0.406 F(o=-2.5,f=-0.41) USER MOD Single : 1 33 ASN : amide:sc= -0.316 K(o=-0.32,f=-2.6!) USER MOD Single : 1 37 CYS SG : rot 180:sc=-0.00387 USER MOD Single : 1 40 SER OG : rot 180:sc=-0.000242 USER MOD Single : 1 50 LYS NZ :NH3+ -149:sc= -1.29 (180deg=-2.43!) USER MOD Single : 1 53 GLN : amide:sc= -15.6! C(o=-16!,f=-23!) USER MOD Single : 2 25 HIS : no HD1:sc= 0 X(o=0,f=-0.0052) USER MOD Single : 2 27 THR OG1 : rot 180:sc= -0.0779 USER MOD Single : 2 29 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0251) USER MOD Single : 2 32 ASN :FLIP amide:sc= -0.231 F(o=-1.5,f=-0.23) USER MOD Single : 2 33 ASN : amide:sc= -0.0448 X(o=-0.045,f=-0.2) USER MOD Single : 2 37 CYS SG : rot 180:sc= -0.0859 USER MOD Single : 2 40 SER OG : rot 111:sc= 0.753 USER MOD Single : 2 50 LYS NZ :NH3+ 146:sc= 0.744 (180deg=-0.82!) USER MOD ----------------------------------------------------------------- ATOM 228 N ASP 1 17 2.198 -16.069 -2.343 1.00 0.00 N ATOM 229 CA ASP 1 17 1.124 -15.372 -3.032 1.00 0.00 C ATOM 230 C ASP 1 17 1.279 -13.866 -2.815 1.00 0.00 C ATOM 231 O ASP 1 17 0.355 -13.099 -3.079 1.00 0.00 O ATOM 232 CB ASP 1 17 -0.242 -15.791 -2.486 1.00 0.00 C ATOM 233 CG ASP 1 17 -1.424 -15.501 -3.413 1.00 0.00 C ATOM 234 OD1 ASP 1 17 -1.490 -16.162 -4.472 1.00 0.00 O ATOM 235 OD2 ASP 1 17 -2.236 -14.625 -3.042 1.00 0.00 O ATOM 0 HA ASP 1 17 1.182 -15.624 -4.091 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 -0.220 -16.860 -2.274 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 -0.410 -15.281 -1.537 1.00 0.00 H new ATOM 240 N ARG 1 18 2.455 -13.487 -2.335 1.00 0.00 N ATOM 241 CA ARG 1 18 2.743 -12.085 -2.080 1.00 0.00 C ATOM 242 C ARG 1 18 3.359 -11.435 -3.320 1.00 0.00 C ATOM 243 O ARG 1 18 3.682 -12.120 -4.289 1.00 0.00 O ATOM 244 CB ARG 1 18 3.702 -11.927 -0.899 1.00 0.00 C ATOM 245 CG ARG 1 18 3.229 -12.741 0.306 1.00 0.00 C ATOM 246 CD ARG 1 18 4.417 -13.317 1.079 1.00 0.00 C ATOM 247 NE ARG 1 18 3.962 -13.850 2.383 1.00 0.00 N ATOM 248 CZ ARG 1 18 4.770 -14.067 3.430 1.00 0.00 C ATOM 249 NH1 ARG 1 18 6.079 -13.797 3.333 1.00 0.00 N ATOM 250 NH2 ARG 1 18 4.269 -14.553 4.574 1.00 0.00 N ATOM 0 H ARG 1 18 3.219 -14.126 -2.116 1.00 0.00 H new ATOM 0 HA ARG 1 18 1.802 -11.591 -1.838 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 4.701 -12.251 -1.191 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 3.776 -10.875 -0.625 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 2.634 -12.109 0.965 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 2.582 -13.551 -0.029 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 4.890 -14.109 0.498 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 5.169 -12.544 1.235 1.00 0.00 H new ATOM 0 HE ARG 1 18 2.971 -14.066 2.491 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 6.460 -13.426 2.462 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 6.694 -13.962 4.130 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 3.273 -14.758 4.648 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 4.884 -14.718 5.371 1.00 0.00 H new ATOM 264 N VAL 1 19 3.503 -10.120 -3.250 1.00 0.00 N ATOM 265 CA VAL 1 19 4.074 -9.369 -4.355 1.00 0.00 C ATOM 266 C VAL 1 19 5.527 -9.019 -4.030 1.00 0.00 C ATOM 267 O VAL 1 19 6.099 -8.109 -4.629 1.00 0.00 O ATOM 268 CB VAL 1 19 3.214 -8.139 -4.653 1.00 0.00 C ATOM 269 CG1 VAL 1 19 3.540 -7.563 -6.032 1.00 0.00 C ATOM 270 CG2 VAL 1 19 1.725 -8.469 -4.534 1.00 0.00 C ATOM 0 H VAL 1 19 3.234 -9.555 -2.445 1.00 0.00 H new ATOM 0 HA VAL 1 19 4.080 -9.971 -5.264 1.00 0.00 H new ATOM 0 HB VAL 1 19 3.449 -7.378 -3.909 1.00 0.00 H new ATOM 0 HG11 VAL 1 19 2.915 -6.690 -6.219 1.00 0.00 H new ATOM 0 HG12 VAL 1 19 4.590 -7.272 -6.066 1.00 0.00 H new ATOM 0 HG13 VAL 1 19 3.348 -8.317 -6.796 1.00 0.00 H new ATOM 0 HG21 VAL 1 19 1.136 -7.578 -4.751 1.00 0.00 H new ATOM 0 HG22 VAL 1 19 1.469 -9.255 -5.245 1.00 0.00 H new ATOM 0 HG23 VAL 1 19 1.508 -8.810 -3.522 1.00 0.00 H new ATOM 280 N ASP 1 20 6.083 -9.759 -3.083 1.00 0.00 N ATOM 281 CA ASP 1 20 7.459 -9.537 -2.671 1.00 0.00 C ATOM 282 C ASP 1 20 7.800 -8.054 -2.823 1.00 0.00 C ATOM 283 O ASP 1 20 8.319 -7.635 -3.856 1.00 0.00 O ATOM 284 CB ASP 1 20 8.430 -10.337 -3.541 1.00 0.00 C ATOM 285 CG ASP 1 20 9.835 -9.742 -3.659 1.00 0.00 C ATOM 286 OD1 ASP 1 20 10.471 -9.575 -2.597 1.00 0.00 O ATOM 287 OD2 ASP 1 20 10.240 -9.465 -4.808 1.00 0.00 O ATOM 0 H ASP 1 20 5.606 -10.513 -2.589 1.00 0.00 H new ATOM 0 HA ASP 1 20 7.556 -9.857 -1.634 1.00 0.00 H new ATOM 0 HB2 ASP 1 20 8.512 -11.345 -3.135 1.00 0.00 H new ATOM 0 HB3 ASP 1 20 8.006 -10.430 -4.541 1.00 0.00 H new ATOM 292 N CYS 1 21 7.493 -7.298 -1.779 1.00 0.00 N ATOM 293 CA CYS 1 21 7.760 -5.870 -1.783 1.00 0.00 C ATOM 294 C CYS 1 21 9.215 -5.655 -2.207 1.00 0.00 C ATOM 295 O CYS 1 21 9.529 -4.683 -2.891 1.00 0.00 O ATOM 296 CB CYS 1 21 7.462 -5.235 -0.424 1.00 0.00 C ATOM 297 SG CYS 1 21 6.713 -3.567 -0.504 1.00 0.00 S ATOM 0 H CYS 1 21 7.061 -7.648 -0.924 1.00 0.00 H new ATOM 0 HA CYS 1 21 7.098 -5.376 -2.494 1.00 0.00 H new ATOM 0 HB2 CYS 1 21 6.792 -5.893 0.129 1.00 0.00 H new ATOM 0 HB3 CYS 1 21 8.390 -5.174 0.144 1.00 0.00 H new ATOM 302 N GLY 1 22 10.064 -6.579 -1.781 1.00 0.00 N ATOM 303 CA GLY 1 22 11.478 -6.502 -2.108 1.00 0.00 C ATOM 304 C GLY 1 22 12.056 -5.137 -1.729 1.00 0.00 C ATOM 305 O GLY 1 22 12.577 -4.420 -2.581 1.00 0.00 O ATOM 0 H GLY 1 22 9.800 -7.384 -1.213 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 12.020 -7.289 -1.583 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 11.618 -6.676 -3.175 1.00 0.00 H new ATOM 309 N TYR 1 23 11.943 -4.817 -0.447 1.00 0.00 N ATOM 310 CA TYR 1 23 12.448 -3.550 0.055 1.00 0.00 C ATOM 311 C TYR 1 23 13.894 -3.688 0.534 1.00 0.00 C ATOM 312 O TYR 1 23 14.257 -4.693 1.143 1.00 0.00 O ATOM 313 CB TYR 1 23 11.560 -3.188 1.248 1.00 0.00 C ATOM 314 CG TYR 1 23 10.652 -1.980 1.003 1.00 0.00 C ATOM 315 CD1 TYR 1 23 11.157 -0.702 1.121 1.00 0.00 C ATOM 316 CD2 TYR 1 23 9.328 -2.172 0.663 1.00 0.00 C ATOM 317 CE1 TYR 1 23 10.302 0.434 0.889 1.00 0.00 C ATOM 318 CE2 TYR 1 23 8.473 -1.036 0.432 1.00 0.00 C ATOM 319 CZ TYR 1 23 9.002 0.211 0.557 1.00 0.00 C ATOM 320 OH TYR 1 23 8.195 1.284 0.339 1.00 0.00 O ATOM 0 H TYR 1 23 11.509 -5.413 0.258 1.00 0.00 H new ATOM 0 HA TYR 1 23 12.429 -2.791 -0.727 1.00 0.00 H new ATOM 0 HB2 TYR 1 23 10.942 -4.049 1.502 1.00 0.00 H new ATOM 0 HB3 TYR 1 23 12.194 -2.984 2.111 1.00 0.00 H new ATOM 0 HD1 TYR 1 23 12.193 -0.553 1.387 1.00 0.00 H new ATOM 0 HD2 TYR 1 23 8.934 -3.173 0.570 1.00 0.00 H new ATOM 0 HE1 TYR 1 23 10.685 1.440 0.977 1.00 0.00 H new ATOM 0 HE2 TYR 1 23 7.435 -1.171 0.166 1.00 0.00 H new ATOM 0 HH TYR 1 23 7.311 1.113 0.726 1.00 0.00 H new ATOM 330 N PRO 1 24 14.701 -2.636 0.234 1.00 0.00 N ATOM 331 CA PRO 1 24 16.100 -2.629 0.626 1.00 0.00 C ATOM 332 C PRO 1 24 16.247 -2.357 2.125 1.00 0.00 C ATOM 333 O PRO 1 24 17.359 -2.343 2.651 1.00 0.00 O ATOM 334 CB PRO 1 24 16.746 -1.558 -0.238 1.00 0.00 C ATOM 335 CG PRO 1 24 15.607 -0.689 -0.746 1.00 0.00 C ATOM 336 CD PRO 1 24 14.305 -1.428 -0.486 1.00 0.00 C ATOM 0 HA PRO 1 24 16.585 -3.593 0.471 1.00 0.00 H new ATOM 0 HB2 PRO 1 24 17.459 -0.969 0.338 1.00 0.00 H new ATOM 0 HB3 PRO 1 24 17.296 -2.004 -1.066 1.00 0.00 H new ATOM 0 HG2 PRO 1 24 15.607 0.275 -0.238 1.00 0.00 H new ATOM 0 HG3 PRO 1 24 15.726 -0.488 -1.811 1.00 0.00 H new ATOM 0 HD2 PRO 1 24 13.617 -0.823 0.105 1.00 0.00 H new ATOM 0 HD3 PRO 1 24 13.795 -1.672 -1.418 1.00 0.00 H new ATOM 344 N HIS 1 25 15.109 -2.149 2.770 1.00 0.00 N ATOM 345 CA HIS 1 25 15.098 -1.879 4.198 1.00 0.00 C ATOM 346 C HIS 1 25 14.148 -2.854 4.897 1.00 0.00 C ATOM 347 O HIS 1 25 13.810 -2.668 6.065 1.00 0.00 O ATOM 348 CB HIS 1 25 14.750 -0.415 4.472 1.00 0.00 C ATOM 349 CG HIS 1 25 15.929 0.525 4.379 1.00 0.00 C ATOM 350 ND1 HIS 1 25 16.959 0.526 5.302 1.00 0.00 N ATOM 351 CD2 HIS 1 25 16.229 1.490 3.463 1.00 0.00 C ATOM 352 CE1 HIS 1 25 17.835 1.456 4.948 1.00 0.00 C ATOM 353 NE2 HIS 1 25 17.380 2.052 3.808 1.00 0.00 N ATOM 0 H HIS 1 25 14.188 -2.162 2.331 1.00 0.00 H new ATOM 0 HA HIS 1 25 16.095 -2.038 4.609 1.00 0.00 H new ATOM 0 HB2 HIS 1 25 13.987 -0.095 3.763 1.00 0.00 H new ATOM 0 HB3 HIS 1 25 14.313 -0.336 5.468 1.00 0.00 H new ATOM 0 HD2 HIS 1 25 15.631 1.752 2.603 1.00 0.00 H new ATOM 0 HE1 HIS 1 25 18.748 1.699 5.470 1.00 0.00 H new ATOM 0 HE2 HIS 1 25 17.848 2.805 3.304 1.00 0.00 H new ATOM 362 N VAL 1 26 13.744 -3.873 4.153 1.00 0.00 N ATOM 363 CA VAL 1 26 12.840 -4.878 4.686 1.00 0.00 C ATOM 364 C VAL 1 26 13.200 -5.157 6.146 1.00 0.00 C ATOM 365 O VAL 1 26 14.341 -5.497 6.454 1.00 0.00 O ATOM 366 CB VAL 1 26 12.876 -6.132 3.810 1.00 0.00 C ATOM 367 CG1 VAL 1 26 14.312 -6.480 3.410 1.00 0.00 C ATOM 368 CG2 VAL 1 26 12.203 -7.312 4.514 1.00 0.00 C ATOM 0 H VAL 1 26 14.026 -4.024 3.185 1.00 0.00 H new ATOM 0 HA VAL 1 26 11.812 -4.516 4.668 1.00 0.00 H new ATOM 0 HB VAL 1 26 12.316 -5.921 2.899 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 14.310 -7.375 2.788 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 14.745 -5.651 2.851 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 14.905 -6.663 4.306 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 12.242 -8.190 3.870 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 12.724 -7.523 5.448 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 11.163 -7.064 4.726 1.00 0.00 H new ATOM 378 N THR 1 27 12.205 -5.004 7.008 1.00 0.00 N ATOM 379 CA THR 1 27 12.403 -5.236 8.428 1.00 0.00 C ATOM 380 C THR 1 27 11.055 -5.370 9.139 1.00 0.00 C ATOM 381 O THR 1 27 10.040 -4.872 8.654 1.00 0.00 O ATOM 382 CB THR 1 27 13.268 -4.100 8.977 1.00 0.00 C ATOM 383 OG1 THR 1 27 14.410 -4.761 9.513 1.00 0.00 O ATOM 384 CG2 THR 1 27 12.633 -3.412 10.187 1.00 0.00 C ATOM 0 H THR 1 27 11.259 -4.722 6.750 1.00 0.00 H new ATOM 0 HA THR 1 27 12.925 -6.176 8.606 1.00 0.00 H new ATOM 0 HB THR 1 27 13.442 -3.364 8.192 1.00 0.00 H new ATOM 0 HG1 THR 1 27 15.026 -4.098 9.889 1.00 0.00 H new ATOM 0 HG21 THR 1 27 13.288 -2.614 10.537 1.00 0.00 H new ATOM 0 HG22 THR 1 27 11.669 -2.991 9.902 1.00 0.00 H new ATOM 0 HG23 THR 1 27 12.489 -4.140 10.986 1.00 0.00 H new ATOM 392 N PRO 1 28 11.087 -6.064 10.308 1.00 0.00 N ATOM 393 CA PRO 1 28 9.881 -6.271 11.091 1.00 0.00 C ATOM 394 C PRO 1 28 9.476 -4.990 11.823 1.00 0.00 C ATOM 395 O PRO 1 28 9.237 -5.010 13.029 1.00 0.00 O ATOM 396 CB PRO 1 28 10.215 -7.415 12.034 1.00 0.00 C ATOM 397 CG PRO 1 28 11.732 -7.497 12.069 1.00 0.00 C ATOM 398 CD PRO 1 28 12.270 -6.670 10.913 1.00 0.00 C ATOM 0 HA PRO 1 28 9.017 -6.521 10.475 1.00 0.00 H new ATOM 0 HB2 PRO 1 28 9.811 -7.231 13.029 1.00 0.00 H new ATOM 0 HB3 PRO 1 28 9.781 -8.351 11.682 1.00 0.00 H new ATOM 0 HG2 PRO 1 28 12.113 -7.120 13.018 1.00 0.00 H new ATOM 0 HG3 PRO 1 28 12.060 -8.533 11.983 1.00 0.00 H new ATOM 0 HD2 PRO 1 28 12.970 -5.910 11.262 1.00 0.00 H new ATOM 0 HD3 PRO 1 28 12.806 -7.292 10.197 1.00 0.00 H new ATOM 406 N LYS 1 29 9.413 -3.907 11.063 1.00 0.00 N ATOM 407 CA LYS 1 29 9.042 -2.619 11.625 1.00 0.00 C ATOM 408 C LYS 1 29 9.150 -1.544 10.541 1.00 0.00 C ATOM 409 O LYS 1 29 8.568 -0.468 10.669 1.00 0.00 O ATOM 410 CB LYS 1 29 9.875 -2.319 12.873 1.00 0.00 C ATOM 411 CG LYS 1 29 9.004 -1.733 13.985 1.00 0.00 C ATOM 412 CD LYS 1 29 9.052 -2.610 15.239 1.00 0.00 C ATOM 413 CE LYS 1 29 7.682 -2.670 15.919 1.00 0.00 C ATOM 414 NZ LYS 1 29 7.627 -3.799 16.875 1.00 0.00 N ATOM 0 H LYS 1 29 9.613 -3.895 10.063 1.00 0.00 H new ATOM 0 HA LYS 1 29 8.004 -2.634 11.958 1.00 0.00 H new ATOM 0 HB2 LYS 1 29 10.353 -3.234 13.224 1.00 0.00 H new ATOM 0 HB3 LYS 1 29 10.672 -1.619 12.623 1.00 0.00 H new ATOM 0 HG2 LYS 1 29 9.346 -0.727 14.227 1.00 0.00 H new ATOM 0 HG3 LYS 1 29 7.975 -1.645 13.637 1.00 0.00 H new ATOM 0 HD2 LYS 1 29 9.373 -3.616 14.971 1.00 0.00 H new ATOM 0 HD3 LYS 1 29 9.791 -2.214 15.936 1.00 0.00 H new ATOM 0 HE2 LYS 1 29 7.487 -1.733 16.442 1.00 0.00 H new ATOM 0 HE3 LYS 1 29 6.901 -2.784 15.167 1.00 0.00 H new ATOM 0 HZ1 LYS 1 29 6.691 -3.825 17.328 1.00 0.00 H new ATOM 0 HZ2 LYS 1 29 7.792 -4.692 16.368 1.00 0.00 H new ATOM 0 HZ3 LYS 1 29 8.360 -3.674 17.602 1.00 0.00 H new ATOM 428 N GLU 1 30 9.900 -1.873 9.500 1.00 0.00 N ATOM 429 CA GLU 1 30 10.092 -0.950 8.394 1.00 0.00 C ATOM 430 C GLU 1 30 9.070 -1.226 7.288 1.00 0.00 C ATOM 431 O GLU 1 30 8.459 -0.300 6.758 1.00 0.00 O ATOM 432 CB GLU 1 30 11.520 -1.030 7.854 1.00 0.00 C ATOM 433 CG GLU 1 30 12.373 0.126 8.381 1.00 0.00 C ATOM 434 CD GLU 1 30 13.688 -0.388 8.972 1.00 0.00 C ATOM 435 OE1 GLU 1 30 14.553 -0.789 8.166 1.00 0.00 O ATOM 436 OE2 GLU 1 30 13.796 -0.367 10.217 1.00 0.00 O ATOM 0 H GLU 1 30 10.382 -2.766 9.399 1.00 0.00 H new ATOM 0 HA GLU 1 30 9.935 0.064 8.762 1.00 0.00 H new ATOM 0 HB2 GLU 1 30 11.969 -1.980 8.144 1.00 0.00 H new ATOM 0 HB3 GLU 1 30 11.502 -1.006 6.764 1.00 0.00 H new ATOM 0 HG2 GLU 1 30 12.583 0.826 7.572 1.00 0.00 H new ATOM 0 HG3 GLU 1 30 11.818 0.675 9.142 1.00 0.00 H new ATOM 443 N CYS 1 31 8.918 -2.503 6.974 1.00 0.00 N ATOM 444 CA CYS 1 31 7.982 -2.912 5.941 1.00 0.00 C ATOM 445 C CYS 1 31 6.601 -2.359 6.297 1.00 0.00 C ATOM 446 O CYS 1 31 5.994 -1.637 5.507 1.00 0.00 O ATOM 447 CB CYS 1 31 7.959 -4.433 5.768 1.00 0.00 C ATOM 448 SG CYS 1 31 9.496 -5.150 5.083 1.00 0.00 S ATOM 0 H CYS 1 31 9.427 -3.268 7.416 1.00 0.00 H new ATOM 0 HA CYS 1 31 8.298 -2.507 4.980 1.00 0.00 H new ATOM 0 HB2 CYS 1 31 7.761 -4.892 6.737 1.00 0.00 H new ATOM 0 HB3 CYS 1 31 7.128 -4.698 5.114 1.00 0.00 H new ATOM 453 N ASN 1 32 6.143 -2.716 7.488 1.00 0.00 N ATOM 454 CA ASN 1 32 4.846 -2.264 7.959 1.00 0.00 C ATOM 455 C ASN 1 32 4.841 -0.736 8.039 1.00 0.00 C ATOM 456 O ASN 1 32 3.796 -0.125 8.255 1.00 0.00 O ATOM 457 CB ASN 1 32 4.545 -2.810 9.356 1.00 0.00 C ATOM 458 CG ASN 1 32 3.811 -4.151 9.274 1.00 0.00 C ATOM 459 OD1 ASN 1 32 4.479 -5.094 8.614 1.00 0.00 O flip ATOM 460 ND2 ASN 1 32 2.712 -4.319 9.775 1.00 0.00 N flip ATOM 0 H ASN 1 32 6.649 -3.314 8.141 1.00 0.00 H new ATOM 0 HA ASN 1 32 4.091 -2.624 7.260 1.00 0.00 H new ATOM 0 HB2 ASN 1 32 5.475 -2.934 9.910 1.00 0.00 H new ATOM 0 HB3 ASN 1 32 3.938 -2.092 9.908 1.00 0.00 H new ATOM 0 HD21 ASN 1 32 2.254 -3.553 10.268 1.00 0.00 H new ATOM 0 HD22 ASN 1 32 2.251 -5.226 9.701 1.00 0.00 H new ATOM 467 N ASN 1 33 6.022 -0.162 7.860 1.00 0.00 N ATOM 468 CA ASN 1 33 6.168 1.282 7.909 1.00 0.00 C ATOM 469 C ASN 1 33 6.093 1.847 6.489 1.00 0.00 C ATOM 470 O ASN 1 33 5.541 2.925 6.275 1.00 0.00 O ATOM 471 CB ASN 1 33 7.520 1.680 8.506 1.00 0.00 C ATOM 472 CG ASN 1 33 7.400 2.962 9.332 1.00 0.00 C ATOM 473 OD1 ASN 1 33 6.317 3.448 9.617 1.00 0.00 O ATOM 474 ND2 ASN 1 33 8.567 3.481 9.699 1.00 0.00 N ATOM 0 H ASN 1 33 6.887 -0.672 7.681 1.00 0.00 H new ATOM 0 HA ASN 1 33 5.368 1.680 8.533 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 7.896 0.872 9.134 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 8.246 1.825 7.706 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 8.593 4.337 10.253 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 9.437 3.023 9.427 1.00 0.00 H new ATOM 481 N ARG 1 34 6.655 1.092 5.556 1.00 0.00 N ATOM 482 CA ARG 1 34 6.659 1.504 4.163 1.00 0.00 C ATOM 483 C ARG 1 34 5.316 1.172 3.508 1.00 0.00 C ATOM 484 O ARG 1 34 4.942 1.782 2.508 1.00 0.00 O ATOM 485 CB ARG 1 34 7.782 0.813 3.388 1.00 0.00 C ATOM 486 CG ARG 1 34 9.014 0.612 4.271 1.00 0.00 C ATOM 487 CD ARG 1 34 10.267 1.184 3.604 1.00 0.00 C ATOM 488 NE ARG 1 34 11.080 1.919 4.600 1.00 0.00 N ATOM 489 CZ ARG 1 34 12.157 2.655 4.293 1.00 0.00 C ATOM 490 NH1 ARG 1 34 12.557 2.759 3.019 1.00 0.00 N ATOM 491 NH2 ARG 1 34 12.834 3.287 5.262 1.00 0.00 N ATOM 0 H ARG 1 34 7.111 0.198 5.738 1.00 0.00 H new ATOM 0 HA ARG 1 34 6.824 2.581 4.136 1.00 0.00 H new ATOM 0 HB2 ARG 1 34 7.434 -0.152 3.019 1.00 0.00 H new ATOM 0 HB3 ARG 1 34 8.048 1.411 2.516 1.00 0.00 H new ATOM 0 HG2 ARG 1 34 8.858 1.096 5.235 1.00 0.00 H new ATOM 0 HG3 ARG 1 34 9.155 -0.451 4.467 1.00 0.00 H new ATOM 0 HD2 ARG 1 34 10.856 0.378 3.165 1.00 0.00 H new ATOM 0 HD3 ARG 1 34 9.983 1.851 2.790 1.00 0.00 H new ATOM 0 HE ARG 1 34 10.803 1.861 5.580 1.00 0.00 H new ATOM 0 HH11 ARG 1 34 12.042 2.278 2.282 1.00 0.00 H new ATOM 0 HH12 ARG 1 34 13.377 3.319 2.786 1.00 0.00 H new ATOM 0 HH21 ARG 1 34 12.529 3.208 6.232 1.00 0.00 H new ATOM 0 HH22 ARG 1 34 13.654 3.847 5.029 1.00 0.00 H new ATOM 505 N GLY 1 35 4.630 0.205 4.099 1.00 0.00 N ATOM 506 CA GLY 1 35 3.337 -0.216 3.585 1.00 0.00 C ATOM 507 C GLY 1 35 3.364 -1.689 3.174 1.00 0.00 C ATOM 508 O GLY 1 35 2.530 -2.132 2.385 1.00 0.00 O ATOM 0 H GLY 1 35 4.944 -0.299 4.928 1.00 0.00 H new ATOM 0 HA2 GLY 1 35 2.571 -0.061 4.345 1.00 0.00 H new ATOM 0 HA3 GLY 1 35 3.064 0.400 2.728 1.00 0.00 H new ATOM 512 N CYS 1 36 4.331 -2.408 3.725 1.00 0.00 N ATOM 513 CA CYS 1 36 4.478 -3.822 3.426 1.00 0.00 C ATOM 514 C CYS 1 36 4.357 -4.605 4.734 1.00 0.00 C ATOM 515 O CYS 1 36 4.590 -4.059 5.813 1.00 0.00 O ATOM 516 CB CYS 1 36 5.796 -4.113 2.705 1.00 0.00 C ATOM 517 SG CYS 1 36 6.085 -3.115 1.199 1.00 0.00 S ATOM 0 H CYS 1 36 5.021 -2.037 4.378 1.00 0.00 H new ATOM 0 HA CYS 1 36 3.689 -4.136 2.743 1.00 0.00 H new ATOM 0 HB2 CYS 1 36 6.619 -3.943 3.400 1.00 0.00 H new ATOM 0 HB3 CYS 1 36 5.820 -5.169 2.434 1.00 0.00 H new ATOM 522 N CYS 1 37 3.993 -5.871 4.597 1.00 0.00 N ATOM 523 CA CYS 1 37 3.838 -6.735 5.755 1.00 0.00 C ATOM 524 C CYS 1 37 5.088 -7.610 5.871 1.00 0.00 C ATOM 525 O CYS 1 37 5.456 -8.300 4.922 1.00 0.00 O ATOM 526 CB CYS 1 37 2.560 -7.572 5.670 1.00 0.00 C ATOM 527 SG CYS 1 37 1.672 -7.781 7.256 1.00 0.00 S ATOM 0 H CYS 1 37 3.801 -6.320 3.701 1.00 0.00 H new ATOM 0 HA CYS 1 37 3.736 -6.128 6.654 1.00 0.00 H new ATOM 0 HB2 CYS 1 37 1.886 -7.107 4.951 1.00 0.00 H new ATOM 0 HB3 CYS 1 37 2.813 -8.557 5.279 1.00 0.00 H new ATOM 0 HG CYS 1 37 0.607 -8.502 7.066 1.00 0.00 H new ATOM 532 N PHE 1 38 5.703 -7.555 7.043 1.00 0.00 N ATOM 533 CA PHE 1 38 6.903 -8.336 7.296 1.00 0.00 C ATOM 534 C PHE 1 38 6.551 -9.727 7.824 1.00 0.00 C ATOM 535 O PHE 1 38 5.934 -9.857 8.880 1.00 0.00 O ATOM 536 CB PHE 1 38 7.707 -7.587 8.361 1.00 0.00 C ATOM 537 CG PHE 1 38 9.146 -8.081 8.515 1.00 0.00 C ATOM 538 CD1 PHE 1 38 10.123 -7.594 7.703 1.00 0.00 C ATOM 539 CD2 PHE 1 38 9.450 -9.007 9.464 1.00 0.00 C ATOM 540 CE1 PHE 1 38 11.459 -8.053 7.847 1.00 0.00 C ATOM 541 CE2 PHE 1 38 10.786 -9.465 9.608 1.00 0.00 C ATOM 542 CZ PHE 1 38 11.763 -8.979 8.796 1.00 0.00 C ATOM 0 H PHE 1 38 5.393 -6.982 7.828 1.00 0.00 H new ATOM 0 HA PHE 1 38 7.468 -8.460 6.372 1.00 0.00 H new ATOM 0 HB2 PHE 1 38 7.723 -6.526 8.111 1.00 0.00 H new ATOM 0 HB3 PHE 1 38 7.197 -7.681 9.320 1.00 0.00 H new ATOM 0 HD1 PHE 1 38 9.883 -6.859 6.949 1.00 0.00 H new ATOM 0 HD2 PHE 1 38 8.674 -9.394 10.108 1.00 0.00 H new ATOM 0 HE1 PHE 1 38 12.235 -7.667 7.202 1.00 0.00 H new ATOM 0 HE2 PHE 1 38 11.027 -10.199 10.362 1.00 0.00 H new ATOM 0 HZ PHE 1 38 12.779 -9.328 8.905 1.00 0.00 H new ATOM 552 N ASP 1 39 6.958 -10.734 7.064 1.00 0.00 N ATOM 553 CA ASP 1 39 6.693 -12.112 7.443 1.00 0.00 C ATOM 554 C ASP 1 39 7.703 -12.546 8.506 1.00 0.00 C ATOM 555 O ASP 1 39 7.414 -12.493 9.701 1.00 0.00 O ATOM 556 CB ASP 1 39 6.838 -13.049 6.243 1.00 0.00 C ATOM 557 CG ASP 1 39 7.362 -14.448 6.575 1.00 0.00 C ATOM 558 OD1 ASP 1 39 6.598 -15.204 7.211 1.00 0.00 O ATOM 559 OD2 ASP 1 39 8.515 -14.729 6.183 1.00 0.00 O ATOM 0 H ASP 1 39 7.469 -10.623 6.188 1.00 0.00 H new ATOM 0 HA ASP 1 39 5.673 -12.168 7.824 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 5.867 -13.147 5.758 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 7.510 -12.588 5.520 1.00 0.00 H new ATOM 564 N SER 1 40 8.868 -12.967 8.034 1.00 0.00 N ATOM 565 CA SER 1 40 9.922 -13.412 8.931 1.00 0.00 C ATOM 566 C SER 1 40 9.732 -14.891 9.269 1.00 0.00 C ATOM 567 O SER 1 40 10.687 -15.575 9.635 1.00 0.00 O ATOM 568 CB SER 1 40 9.946 -12.573 10.212 1.00 0.00 C ATOM 569 OG SER 1 40 11.242 -12.539 10.802 1.00 0.00 O ATOM 0 H SER 1 40 9.105 -13.009 7.043 1.00 0.00 H new ATOM 0 HA SER 1 40 10.879 -13.282 8.425 1.00 0.00 H new ATOM 0 HB2 SER 1 40 9.624 -11.557 9.986 1.00 0.00 H new ATOM 0 HB3 SER 1 40 9.232 -12.982 10.927 1.00 0.00 H new ATOM 0 HG SER 1 40 11.217 -11.993 11.616 1.00 0.00 H new ATOM 575 N ARG 1 41 8.494 -15.342 9.134 1.00 0.00 N ATOM 576 CA ARG 1 41 8.167 -16.729 9.421 1.00 0.00 C ATOM 577 C ARG 1 41 8.886 -17.657 8.440 1.00 0.00 C ATOM 578 O ARG 1 41 9.472 -18.660 8.844 1.00 0.00 O ATOM 579 CB ARG 1 41 6.660 -16.970 9.328 1.00 0.00 C ATOM 580 CG ARG 1 41 5.879 -15.810 9.952 1.00 0.00 C ATOM 581 CD ARG 1 41 4.729 -16.327 10.819 1.00 0.00 C ATOM 582 NE ARG 1 41 5.244 -17.278 11.829 1.00 0.00 N ATOM 583 CZ ARG 1 41 5.852 -16.911 12.966 1.00 0.00 C ATOM 584 NH1 ARG 1 41 6.023 -15.611 13.244 1.00 0.00 N ATOM 585 NH2 ARG 1 41 6.287 -17.843 13.824 1.00 0.00 N ATOM 0 H ARG 1 41 7.705 -14.772 8.830 1.00 0.00 H new ATOM 0 HA ARG 1 41 8.496 -16.944 10.438 1.00 0.00 H new ATOM 0 HB2 ARG 1 41 6.371 -17.088 8.284 1.00 0.00 H new ATOM 0 HB3 ARG 1 41 6.405 -17.900 9.836 1.00 0.00 H new ATOM 0 HG2 ARG 1 41 6.549 -15.199 10.557 1.00 0.00 H new ATOM 0 HG3 ARG 1 41 5.485 -15.167 9.165 1.00 0.00 H new ATOM 0 HD2 ARG 1 41 4.232 -15.492 11.314 1.00 0.00 H new ATOM 0 HD3 ARG 1 41 3.983 -16.817 10.193 1.00 0.00 H new ATOM 0 HE ARG 1 41 5.129 -18.275 11.649 1.00 0.00 H new ATOM 0 HH11 ARG 1 41 5.691 -14.902 12.591 1.00 0.00 H new ATOM 0 HH12 ARG 1 41 6.485 -15.331 14.109 1.00 0.00 H new ATOM 0 HH21 ARG 1 41 6.156 -18.832 13.612 1.00 0.00 H new ATOM 0 HH22 ARG 1 41 6.750 -17.564 14.689 1.00 0.00 H new ATOM 599 N ILE 1 42 8.817 -17.290 7.169 1.00 0.00 N ATOM 600 CA ILE 1 42 9.454 -18.078 6.126 1.00 0.00 C ATOM 601 C ILE 1 42 10.572 -17.255 5.482 1.00 0.00 C ATOM 602 O ILE 1 42 10.305 -16.293 4.764 1.00 0.00 O ATOM 603 CB ILE 1 42 8.413 -18.588 5.128 1.00 0.00 C ATOM 604 CG1 ILE 1 42 7.068 -18.830 5.815 1.00 0.00 C ATOM 605 CG2 ILE 1 42 8.918 -19.835 4.399 1.00 0.00 C ATOM 606 CD1 ILE 1 42 6.231 -19.849 5.038 1.00 0.00 C ATOM 0 H ILE 1 42 8.330 -16.458 6.837 1.00 0.00 H new ATOM 0 HA ILE 1 42 9.917 -18.969 6.551 1.00 0.00 H new ATOM 0 HB ILE 1 42 8.255 -17.817 4.374 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 7.234 -19.189 6.831 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 6.522 -17.890 5.894 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 8.159 -20.177 3.695 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 9.833 -19.594 3.857 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 9.122 -20.623 5.124 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 5.280 -20.003 5.548 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 6.047 -19.476 4.031 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 6.770 -20.795 4.982 1.00 0.00 H new ATOM 618 N PRO 1 43 11.834 -17.674 5.771 1.00 0.00 N ATOM 619 CA PRO 1 43 12.993 -16.986 5.229 1.00 0.00 C ATOM 620 C PRO 1 43 13.185 -17.319 3.748 1.00 0.00 C ATOM 621 O PRO 1 43 14.063 -16.762 3.092 1.00 0.00 O ATOM 622 CB PRO 1 43 14.158 -17.437 6.094 1.00 0.00 C ATOM 623 CG PRO 1 43 13.695 -18.708 6.788 1.00 0.00 C ATOM 624 CD PRO 1 43 12.188 -18.808 6.619 1.00 0.00 C ATOM 0 HA PRO 1 43 12.889 -15.901 5.257 1.00 0.00 H new ATOM 0 HB2 PRO 1 43 15.045 -17.624 5.488 1.00 0.00 H new ATOM 0 HB3 PRO 1 43 14.424 -16.670 6.821 1.00 0.00 H new ATOM 0 HG2 PRO 1 43 14.186 -19.580 6.356 1.00 0.00 H new ATOM 0 HG3 PRO 1 43 13.960 -18.684 7.845 1.00 0.00 H new ATOM 0 HD2 PRO 1 43 11.903 -19.753 6.156 1.00 0.00 H new ATOM 0 HD3 PRO 1 43 11.677 -18.758 7.581 1.00 0.00 H new ATOM 632 N GLY 1 44 12.347 -18.225 3.265 1.00 0.00 N ATOM 633 CA GLY 1 44 12.413 -18.639 1.874 1.00 0.00 C ATOM 634 C GLY 1 44 11.422 -17.848 1.019 1.00 0.00 C ATOM 635 O GLY 1 44 11.380 -18.010 -0.200 1.00 0.00 O ATOM 0 H GLY 1 44 11.619 -18.684 3.812 1.00 0.00 H new ATOM 0 HA2 GLY 1 44 13.424 -18.492 1.495 1.00 0.00 H new ATOM 0 HA3 GLY 1 44 12.196 -19.704 1.797 1.00 0.00 H new ATOM 639 N VAL 1 45 10.648 -17.008 1.691 1.00 0.00 N ATOM 640 CA VAL 1 45 9.659 -16.191 1.008 1.00 0.00 C ATOM 641 C VAL 1 45 9.968 -14.713 1.253 1.00 0.00 C ATOM 642 O VAL 1 45 10.948 -14.382 1.919 1.00 0.00 O ATOM 643 CB VAL 1 45 8.251 -16.590 1.457 1.00 0.00 C ATOM 644 CG1 VAL 1 45 8.190 -18.077 1.812 1.00 0.00 C ATOM 645 CG2 VAL 1 45 7.784 -15.726 2.629 1.00 0.00 C ATOM 0 H VAL 1 45 10.686 -16.876 2.702 1.00 0.00 H new ATOM 0 HA VAL 1 45 9.702 -16.358 -0.068 1.00 0.00 H new ATOM 0 HB VAL 1 45 7.571 -16.417 0.623 1.00 0.00 H new ATOM 0 HG11 VAL 1 45 7.179 -18.335 2.128 1.00 0.00 H new ATOM 0 HG12 VAL 1 45 8.460 -18.671 0.939 1.00 0.00 H new ATOM 0 HG13 VAL 1 45 8.888 -18.286 2.623 1.00 0.00 H new ATOM 0 HG21 VAL 1 45 6.781 -16.030 2.928 1.00 0.00 H new ATOM 0 HG22 VAL 1 45 8.467 -15.852 3.469 1.00 0.00 H new ATOM 0 HG23 VAL 1 45 7.770 -14.679 2.326 1.00 0.00 H new ATOM 655 N PRO 1 46 9.091 -13.842 0.687 1.00 0.00 N ATOM 656 CA PRO 1 46 9.261 -12.406 0.837 1.00 0.00 C ATOM 657 C PRO 1 46 8.861 -11.951 2.243 1.00 0.00 C ATOM 658 O PRO 1 46 7.700 -12.071 2.630 1.00 0.00 O ATOM 659 CB PRO 1 46 8.400 -11.792 -0.254 1.00 0.00 C ATOM 660 CG PRO 1 46 7.421 -12.877 -0.674 1.00 0.00 C ATOM 661 CD PRO 1 46 7.919 -14.197 -0.108 1.00 0.00 C ATOM 0 HA PRO 1 46 10.299 -12.091 0.730 1.00 0.00 H new ATOM 0 HB2 PRO 1 46 7.873 -10.912 0.114 1.00 0.00 H new ATOM 0 HB3 PRO 1 46 9.010 -11.469 -1.097 1.00 0.00 H new ATOM 0 HG2 PRO 1 46 6.421 -12.654 -0.301 1.00 0.00 H new ATOM 0 HG3 PRO 1 46 7.352 -12.929 -1.761 1.00 0.00 H new ATOM 0 HD2 PRO 1 46 7.156 -14.678 0.504 1.00 0.00 H new ATOM 0 HD3 PRO 1 46 8.177 -14.896 -0.903 1.00 0.00 H new ATOM 669 N TRP 1 47 9.844 -11.436 2.965 1.00 0.00 N ATOM 670 CA TRP 1 47 9.609 -10.962 4.319 1.00 0.00 C ATOM 671 C TRP 1 47 9.208 -9.488 4.240 1.00 0.00 C ATOM 672 O TRP 1 47 9.460 -8.721 5.169 1.00 0.00 O ATOM 673 CB TRP 1 47 10.834 -11.201 5.204 1.00 0.00 C ATOM 674 CG TRP 1 47 11.868 -12.149 4.592 1.00 0.00 C ATOM 675 CD1 TRP 1 47 11.808 -13.484 4.496 1.00 0.00 C ATOM 676 CD2 TRP 1 47 13.127 -11.776 3.993 1.00 0.00 C ATOM 677 NE1 TRP 1 47 12.931 -13.997 3.881 1.00 0.00 N ATOM 678 CE2 TRP 1 47 13.759 -12.926 3.566 1.00 0.00 C ATOM 679 CE3 TRP 1 47 13.712 -10.510 3.820 1.00 0.00 C ATOM 680 CZ2 TRP 1 47 15.010 -12.923 2.936 1.00 0.00 C ATOM 681 CZ3 TRP 1 47 14.962 -10.526 3.188 1.00 0.00 C ATOM 682 CH2 TRP 1 47 15.612 -11.673 2.752 1.00 0.00 C ATOM 0 H TRP 1 47 10.805 -11.336 2.639 1.00 0.00 H new ATOM 0 HA TRP 1 47 8.798 -11.520 4.788 1.00 0.00 H new ATOM 0 HB2 TRP 1 47 11.312 -10.244 5.412 1.00 0.00 H new ATOM 0 HB3 TRP 1 47 10.505 -11.607 6.160 1.00 0.00 H new ATOM 0 HD1 TRP 1 47 10.984 -14.083 4.855 1.00 0.00 H new ATOM 0 HE1 TRP 1 47 13.119 -14.982 3.692 1.00 0.00 H new ATOM 0 HE3 TRP 1 47 13.236 -9.598 4.148 1.00 0.00 H new ATOM 0 HZ2 TRP 1 47 15.485 -13.837 2.610 1.00 0.00 H new ATOM 0 HZ3 TRP 1 47 15.455 -9.579 3.028 1.00 0.00 H new ATOM 0 HH2 TRP 1 47 16.577 -11.601 2.273 1.00 0.00 H new ATOM 693 N CYS 1 48 8.588 -9.135 3.123 1.00 0.00 N ATOM 694 CA CYS 1 48 8.149 -7.767 2.911 1.00 0.00 C ATOM 695 C CYS 1 48 7.263 -7.733 1.664 1.00 0.00 C ATOM 696 O CYS 1 48 7.765 -7.758 0.541 1.00 0.00 O ATOM 697 CB CYS 1 48 9.333 -6.804 2.795 1.00 0.00 C ATOM 698 SG CYS 1 48 8.919 -5.042 3.068 1.00 0.00 S ATOM 0 H CYS 1 48 8.380 -9.774 2.355 1.00 0.00 H new ATOM 0 HA CYS 1 48 7.574 -7.431 3.773 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 10.095 -7.099 3.516 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 9.774 -6.910 1.804 1.00 0.00 H new ATOM 703 N PHE 1 49 5.961 -7.679 1.902 1.00 0.00 N ATOM 704 CA PHE 1 49 5.001 -7.643 0.813 1.00 0.00 C ATOM 705 C PHE 1 49 3.843 -6.696 1.134 1.00 0.00 C ATOM 706 O PHE 1 49 3.887 -5.970 2.126 1.00 0.00 O ATOM 707 CB PHE 1 49 4.456 -9.062 0.650 1.00 0.00 C ATOM 708 CG PHE 1 49 4.443 -9.876 1.945 1.00 0.00 C ATOM 709 CD1 PHE 1 49 5.613 -10.191 2.563 1.00 0.00 C ATOM 710 CD2 PHE 1 49 3.261 -10.285 2.480 1.00 0.00 C ATOM 711 CE1 PHE 1 49 5.601 -10.945 3.765 1.00 0.00 C ATOM 712 CE2 PHE 1 49 3.249 -11.041 3.683 1.00 0.00 C ATOM 713 CZ PHE 1 49 4.420 -11.355 4.299 1.00 0.00 C ATOM 0 H PHE 1 49 5.548 -7.659 2.835 1.00 0.00 H new ATOM 0 HA PHE 1 49 5.484 -7.287 -0.097 1.00 0.00 H new ATOM 0 HB2 PHE 1 49 3.441 -9.007 0.257 1.00 0.00 H new ATOM 0 HB3 PHE 1 49 5.057 -9.588 -0.092 1.00 0.00 H new ATOM 0 HD1 PHE 1 49 6.552 -9.867 2.139 1.00 0.00 H new ATOM 0 HD2 PHE 1 49 2.331 -10.035 1.990 1.00 0.00 H new ATOM 0 HE1 PHE 1 49 6.530 -11.193 4.256 1.00 0.00 H new ATOM 0 HE2 PHE 1 49 2.311 -11.366 4.108 1.00 0.00 H new ATOM 0 HZ PHE 1 49 4.412 -11.930 5.213 1.00 0.00 H new ATOM 723 N LYS 1 50 2.834 -6.735 0.275 1.00 0.00 N ATOM 724 CA LYS 1 50 1.666 -5.891 0.455 1.00 0.00 C ATOM 725 C LYS 1 50 0.414 -6.768 0.534 1.00 0.00 C ATOM 726 O LYS 1 50 -0.418 -6.750 -0.372 1.00 0.00 O ATOM 727 CB LYS 1 50 1.601 -4.824 -0.640 1.00 0.00 C ATOM 728 CG LYS 1 50 2.434 -5.236 -1.856 1.00 0.00 C ATOM 729 CD LYS 1 50 3.856 -4.679 -1.761 1.00 0.00 C ATOM 730 CE LYS 1 50 3.838 -3.188 -1.421 1.00 0.00 C ATOM 731 NZ LYS 1 50 2.714 -2.513 -2.107 1.00 0.00 N ATOM 0 H LYS 1 50 2.802 -7.338 -0.547 1.00 0.00 H new ATOM 0 HA LYS 1 50 1.733 -5.345 1.396 1.00 0.00 H new ATOM 0 HB2 LYS 1 50 0.565 -4.668 -0.940 1.00 0.00 H new ATOM 0 HB3 LYS 1 50 1.966 -3.874 -0.249 1.00 0.00 H new ATOM 0 HG2 LYS 1 50 2.469 -6.323 -1.925 1.00 0.00 H new ATOM 0 HG3 LYS 1 50 1.958 -4.874 -2.767 1.00 0.00 H new ATOM 0 HD2 LYS 1 50 4.413 -5.223 -0.998 1.00 0.00 H new ATOM 0 HD3 LYS 1 50 4.375 -4.834 -2.707 1.00 0.00 H new ATOM 0 HE2 LYS 1 50 3.746 -3.056 -0.343 1.00 0.00 H new ATOM 0 HE3 LYS 1 50 4.781 -2.730 -1.719 1.00 0.00 H new ATOM 0 HZ1 LYS 1 50 2.977 -1.529 -2.319 1.00 0.00 H new ATOM 0 HZ2 LYS 1 50 2.498 -3.012 -2.993 1.00 0.00 H new ATOM 0 HZ3 LYS 1 50 1.876 -2.522 -1.491 1.00 0.00 H new ATOM 745 N PRO 1 51 0.319 -7.534 1.654 1.00 0.00 N ATOM 746 CA PRO 1 51 -0.817 -8.416 1.862 1.00 0.00 C ATOM 747 C PRO 1 51 -2.063 -7.621 2.258 1.00 0.00 C ATOM 748 O PRO 1 51 -2.735 -7.048 1.402 1.00 0.00 O ATOM 749 CB PRO 1 51 -0.366 -9.389 2.940 1.00 0.00 C ATOM 750 CG PRO 1 51 0.824 -8.733 3.622 1.00 0.00 C ATOM 751 CD PRO 1 51 1.285 -7.579 2.747 1.00 0.00 C ATOM 0 HA PRO 1 51 -1.107 -8.950 0.957 1.00 0.00 H new ATOM 0 HB2 PRO 1 51 -1.168 -9.581 3.653 1.00 0.00 H new ATOM 0 HB3 PRO 1 51 -0.087 -10.350 2.507 1.00 0.00 H new ATOM 0 HG2 PRO 1 51 0.546 -8.373 4.613 1.00 0.00 H new ATOM 0 HG3 PRO 1 51 1.630 -9.454 3.759 1.00 0.00 H new ATOM 0 HD2 PRO 1 51 1.298 -6.641 3.303 1.00 0.00 H new ATOM 0 HD3 PRO 1 51 2.296 -7.743 2.375 1.00 0.00 H new ATOM 759 N LEU 1 52 -2.334 -7.613 3.555 1.00 0.00 N ATOM 760 CA LEU 1 52 -3.487 -6.898 4.073 1.00 0.00 C ATOM 761 C LEU 1 52 -3.072 -5.475 4.453 1.00 0.00 C ATOM 762 O LEU 1 52 -3.525 -4.942 5.465 1.00 0.00 O ATOM 763 CB LEU 1 52 -4.129 -7.679 5.222 1.00 0.00 C ATOM 764 CG LEU 1 52 -3.754 -7.224 6.634 1.00 0.00 C ATOM 765 CD1 LEU 1 52 -4.830 -6.311 7.221 1.00 0.00 C ATOM 766 CD2 LEU 1 52 -3.465 -8.425 7.538 1.00 0.00 C ATOM 0 H LEU 1 52 -1.775 -8.090 4.262 1.00 0.00 H new ATOM 0 HA LEU 1 52 -4.257 -6.811 3.307 1.00 0.00 H new ATOM 0 HB2 LEU 1 52 -5.212 -7.616 5.117 1.00 0.00 H new ATOM 0 HB3 LEU 1 52 -3.859 -8.730 5.116 1.00 0.00 H new ATOM 0 HG LEU 1 52 -2.836 -6.639 6.571 1.00 0.00 H new ATOM 0 HD11 LEU 1 52 -4.538 -6.003 8.225 1.00 0.00 H new ATOM 0 HD12 LEU 1 52 -4.944 -5.430 6.589 1.00 0.00 H new ATOM 0 HD13 LEU 1 52 -5.777 -6.848 7.268 1.00 0.00 H new ATOM 0 HD21 LEU 1 52 -3.201 -8.074 8.536 1.00 0.00 H new ATOM 0 HD22 LEU 1 52 -4.351 -9.057 7.598 1.00 0.00 H new ATOM 0 HD23 LEU 1 52 -2.637 -9.000 7.125 1.00 0.00 H new ATOM 778 N GLN 1 53 -2.215 -4.901 3.622 1.00 0.00 N ATOM 779 CA GLN 1 53 -1.733 -3.551 3.858 1.00 0.00 C ATOM 780 C GLN 1 53 -2.911 -2.585 4.000 1.00 0.00 C ATOM 781 O GLN 1 53 -2.766 -1.505 4.572 1.00 0.00 O ATOM 782 CB GLN 1 53 -0.788 -3.103 2.741 1.00 0.00 C ATOM 783 CG GLN 1 53 0.414 -4.044 2.631 1.00 0.00 C ATOM 784 CD GLN 1 53 1.094 -4.226 3.989 1.00 0.00 C ATOM 785 OE1 GLN 1 53 2.082 -3.585 4.309 1.00 0.00 O ATOM 786 NE2 GLN 1 53 0.513 -5.136 4.767 1.00 0.00 N ATOM 0 H GLN 1 53 -1.842 -5.346 2.784 1.00 0.00 H new ATOM 0 HA GLN 1 53 -1.168 -3.545 4.790 1.00 0.00 H new ATOM 0 HB2 GLN 1 53 -1.325 -3.080 1.793 1.00 0.00 H new ATOM 0 HB3 GLN 1 53 -0.443 -2.088 2.937 1.00 0.00 H new ATOM 0 HG2 GLN 1 53 0.089 -5.012 2.251 1.00 0.00 H new ATOM 0 HG3 GLN 1 53 1.129 -3.643 1.913 1.00 0.00 H new ATOM 0 HE21 GLN 1 53 -0.312 -5.637 4.437 1.00 0.00 H new ATOM 0 HE22 GLN 1 53 0.893 -5.333 5.693 1.00 0.00 H new ATOM 795 N GLU 1 54 -4.050 -3.008 3.471 1.00 0.00 N ATOM 796 CA GLU 1 54 -5.251 -2.193 3.531 1.00 0.00 C ATOM 797 C GLU 1 54 -5.404 -1.576 4.923 1.00 0.00 C ATOM 798 O GLU 1 54 -6.064 -0.550 5.082 1.00 0.00 O ATOM 799 CB GLU 1 54 -6.488 -3.012 3.157 1.00 0.00 C ATOM 800 CG GLU 1 54 -7.049 -3.749 4.375 1.00 0.00 C ATOM 801 CD GLU 1 54 -8.016 -2.857 5.158 1.00 0.00 C ATOM 802 OE1 GLU 1 54 -8.950 -2.332 4.513 1.00 0.00 O ATOM 803 OE2 GLU 1 54 -7.798 -2.721 6.381 1.00 0.00 O ATOM 0 H GLU 1 54 -4.166 -3.905 2.999 1.00 0.00 H new ATOM 0 HA GLU 1 54 -5.156 -1.386 2.805 1.00 0.00 H new ATOM 0 HB2 GLU 1 54 -7.252 -2.354 2.742 1.00 0.00 H new ATOM 0 HB3 GLU 1 54 -6.230 -3.731 2.380 1.00 0.00 H new ATOM 0 HG2 GLU 1 54 -7.564 -4.654 4.052 1.00 0.00 H new ATOM 0 HG3 GLU 1 54 -6.231 -4.062 5.024 1.00 0.00 H new ATOM 810 N ALA 1 55 -4.782 -2.226 5.895 1.00 0.00 N ATOM 811 CA ALA 1 55 -4.840 -1.752 7.268 1.00 0.00 C ATOM 812 C ALA 1 55 -4.713 -0.228 7.283 1.00 0.00 C ATOM 813 O ALA 1 55 -5.662 0.474 7.627 1.00 0.00 O ATOM 814 CB ALA 1 55 -3.747 -2.437 8.091 1.00 0.00 C ATOM 0 H ALA 1 55 -4.235 -3.077 5.760 1.00 0.00 H new ATOM 0 HA ALA 1 55 -5.798 -2.007 7.722 1.00 0.00 H new ATOM 0 HB1 ALA 1 55 -3.790 -2.082 9.121 1.00 0.00 H new ATOM 0 HB2 ALA 1 55 -3.900 -3.516 8.073 1.00 0.00 H new ATOM 0 HB3 ALA 1 55 -2.771 -2.202 7.667 1.00 0.00 H new ATOM 820 N GLU 1 56 -3.531 0.239 6.907 1.00 0.00 N ATOM 821 CA GLU 1 56 -3.268 1.668 6.873 1.00 0.00 C ATOM 822 C GLU 1 56 -2.938 2.113 5.447 1.00 0.00 C ATOM 823 O GLU 1 56 -2.406 3.203 5.241 1.00 0.00 O ATOM 824 CB GLU 1 56 -2.140 2.040 7.839 1.00 0.00 C ATOM 825 CG GLU 1 56 -2.555 1.790 9.289 1.00 0.00 C ATOM 826 CD GLU 1 56 -1.809 2.727 10.242 1.00 0.00 C ATOM 827 OE1 GLU 1 56 -0.564 2.770 10.135 1.00 0.00 O ATOM 828 OE2 GLU 1 56 -2.500 3.377 11.056 1.00 0.00 O ATOM 0 H GLU 1 56 -2.745 -0.346 6.623 1.00 0.00 H new ATOM 0 HA GLU 1 56 -4.167 2.192 7.197 1.00 0.00 H new ATOM 0 HB2 GLU 1 56 -1.250 1.456 7.606 1.00 0.00 H new ATOM 0 HB3 GLU 1 56 -1.876 3.089 7.708 1.00 0.00 H new ATOM 0 HG2 GLU 1 56 -3.630 1.939 9.394 1.00 0.00 H new ATOM 0 HG3 GLU 1 56 -2.349 0.754 9.557 1.00 0.00 H new ATOM 835 N CYS 1 57 -3.271 1.248 4.500 1.00 0.00 N ATOM 836 CA CYS 1 57 -3.017 1.539 3.099 1.00 0.00 C ATOM 837 C CYS 1 57 -4.315 2.052 2.472 1.00 0.00 C ATOM 838 O CYS 1 57 -4.576 3.254 2.471 1.00 0.00 O ATOM 839 CB CYS 1 57 -2.468 0.318 2.359 1.00 0.00 C ATOM 840 SG CYS 1 57 -2.459 0.467 0.534 1.00 0.00 S ATOM 0 H CYS 1 57 -3.714 0.346 4.675 1.00 0.00 H new ATOM 0 HA CYS 1 57 -2.248 2.307 3.017 1.00 0.00 H new ATOM 0 HB2 CYS 1 57 -1.449 0.132 2.699 1.00 0.00 H new ATOM 0 HB3 CYS 1 57 -3.061 -0.554 2.636 1.00 0.00 H new ATOM 845 N THR 1 58 -5.094 1.114 1.953 1.00 0.00 N ATOM 846 CA THR 1 58 -6.358 1.456 1.324 1.00 0.00 C ATOM 847 C THR 1 58 -7.043 2.592 2.087 1.00 0.00 C ATOM 848 O THR 1 58 -7.729 3.421 1.488 1.00 0.00 O ATOM 849 CB THR 1 58 -7.204 0.183 1.241 1.00 0.00 C ATOM 850 OG1 THR 1 58 -7.917 0.320 0.014 1.00 0.00 O ATOM 851 CG2 THR 1 58 -8.301 0.139 2.306 1.00 0.00 C ATOM 0 H THR 1 58 -4.874 0.118 1.955 1.00 0.00 H new ATOM 0 HA THR 1 58 -6.208 1.831 0.312 1.00 0.00 H new ATOM 0 HB THR 1 58 -6.559 -0.689 1.348 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -8.490 -0.464 -0.121 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -8.871 -0.784 2.203 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -7.848 0.177 3.297 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -8.966 0.993 2.178 1.00 0.00 H new ATOM 859 N PHE 1 59 -6.834 2.595 3.394 1.00 0.00 N ATOM 860 CA PHE 1 59 -7.422 3.616 4.244 1.00 0.00 C ATOM 861 C PHE 1 59 -7.519 4.954 3.508 1.00 0.00 C ATOM 862 O PHE 1 59 -8.613 5.403 3.170 1.00 0.00 O ATOM 863 CB PHE 1 59 -6.499 3.778 5.453 1.00 0.00 C ATOM 864 CG PHE 1 59 -7.223 4.187 6.738 1.00 0.00 C ATOM 865 CD1 PHE 1 59 -7.814 5.409 6.825 1.00 0.00 C ATOM 866 CD2 PHE 1 59 -7.274 3.330 7.792 1.00 0.00 C ATOM 867 CE1 PHE 1 59 -8.484 5.789 8.018 1.00 0.00 C ATOM 868 CE2 PHE 1 59 -7.946 3.710 8.985 1.00 0.00 C ATOM 869 CZ PHE 1 59 -8.537 4.931 9.072 1.00 0.00 C ATOM 0 H PHE 1 59 -6.265 1.906 3.886 1.00 0.00 H new ATOM 0 HA PHE 1 59 -8.429 3.320 4.538 1.00 0.00 H new ATOM 0 HB2 PHE 1 59 -5.976 2.838 5.626 1.00 0.00 H new ATOM 0 HB3 PHE 1 59 -5.741 4.526 5.221 1.00 0.00 H new ATOM 0 HD1 PHE 1 59 -7.774 6.090 5.987 1.00 0.00 H new ATOM 0 HD2 PHE 1 59 -6.804 2.360 7.723 1.00 0.00 H new ATOM 0 HE1 PHE 1 59 -8.952 6.760 8.088 1.00 0.00 H new ATOM 0 HE2 PHE 1 59 -7.987 3.029 9.822 1.00 0.00 H new ATOM 0 HZ PHE 1 59 -9.049 5.220 9.978 1.00 0.00 H new ATOM 1107 N ASP 2 17 -8.773 15.554 -0.292 1.00 0.00 N ATOM 1108 CA ASP 2 17 -9.553 14.561 0.426 1.00 0.00 C ATOM 1109 C ASP 2 17 -8.717 13.293 0.605 1.00 0.00 C ATOM 1110 O ASP 2 17 -9.256 12.225 0.891 1.00 0.00 O ATOM 1111 CB ASP 2 17 -10.818 14.189 -0.349 1.00 0.00 C ATOM 1112 CG ASP 2 17 -11.893 13.473 0.471 1.00 0.00 C ATOM 1113 OD1 ASP 2 17 -11.610 13.192 1.655 1.00 0.00 O ATOM 1114 OD2 ASP 2 17 -12.974 13.222 -0.106 1.00 0.00 O ATOM 0 HA ASP 2 17 -9.833 14.985 1.390 1.00 0.00 H new ATOM 0 HB2 ASP 2 17 -11.249 15.098 -0.769 1.00 0.00 H new ATOM 0 HB3 ASP 2 17 -10.538 13.552 -1.188 1.00 0.00 H new ATOM 1119 N ARG 2 18 -7.414 13.452 0.428 1.00 0.00 N ATOM 1120 CA ARG 2 18 -6.497 12.333 0.566 1.00 0.00 C ATOM 1121 C ARG 2 18 -6.088 12.159 2.030 1.00 0.00 C ATOM 1122 O ARG 2 18 -6.506 12.931 2.891 1.00 0.00 O ATOM 1123 CB ARG 2 18 -5.244 12.538 -0.287 1.00 0.00 C ATOM 1124 CG ARG 2 18 -5.612 12.796 -1.749 1.00 0.00 C ATOM 1125 CD ARG 2 18 -4.677 13.833 -2.376 1.00 0.00 C ATOM 1126 NE ARG 2 18 -4.864 13.863 -3.843 1.00 0.00 N ATOM 1127 CZ ARG 2 18 -4.039 14.489 -4.693 1.00 0.00 C ATOM 1128 NH1 ARG 2 18 -2.966 15.141 -4.226 1.00 0.00 N ATOM 1129 NH2 ARG 2 18 -4.287 14.462 -6.010 1.00 0.00 N ATOM 0 H ARG 2 18 -6.971 14.339 0.190 1.00 0.00 H new ATOM 0 HA ARG 2 18 -7.013 11.437 0.221 1.00 0.00 H new ATOM 0 HB2 ARG 2 18 -4.669 13.379 0.101 1.00 0.00 H new ATOM 0 HB3 ARG 2 18 -4.605 11.657 -0.219 1.00 0.00 H new ATOM 0 HG2 ARG 2 18 -5.556 11.864 -2.311 1.00 0.00 H new ATOM 0 HG3 ARG 2 18 -6.643 13.145 -1.812 1.00 0.00 H new ATOM 0 HD2 ARG 2 18 -4.879 14.818 -1.955 1.00 0.00 H new ATOM 0 HD3 ARG 2 18 -3.641 13.591 -2.138 1.00 0.00 H new ATOM 0 HE ARG 2 18 -5.672 13.377 -4.232 1.00 0.00 H new ATOM 0 HH11 ARG 2 18 -2.777 15.161 -3.224 1.00 0.00 H new ATOM 0 HH12 ARG 2 18 -2.338 15.618 -4.873 1.00 0.00 H new ATOM 0 HH21 ARG 2 18 -5.104 13.965 -6.365 1.00 0.00 H new ATOM 0 HH22 ARG 2 18 -3.659 14.939 -6.657 1.00 0.00 H new ATOM 1143 N VAL 2 19 -5.275 11.140 2.267 1.00 0.00 N ATOM 1144 CA VAL 2 19 -4.804 10.855 3.611 1.00 0.00 C ATOM 1145 C VAL 2 19 -3.318 11.204 3.712 1.00 0.00 C ATOM 1146 O VAL 2 19 -2.626 10.735 4.614 1.00 0.00 O ATOM 1147 CB VAL 2 19 -5.102 9.399 3.973 1.00 0.00 C ATOM 1148 CG1 VAL 2 19 -4.508 9.040 5.337 1.00 0.00 C ATOM 1149 CG2 VAL 2 19 -6.608 9.123 3.941 1.00 0.00 C ATOM 0 H VAL 2 19 -4.930 10.501 1.550 1.00 0.00 H new ATOM 0 HA VAL 2 19 -5.332 11.471 4.338 1.00 0.00 H new ATOM 0 HB VAL 2 19 -4.629 8.764 3.224 1.00 0.00 H new ATOM 0 HG11 VAL 2 19 -4.734 8.000 5.570 1.00 0.00 H new ATOM 0 HG12 VAL 2 19 -3.427 9.179 5.311 1.00 0.00 H new ATOM 0 HG13 VAL 2 19 -4.939 9.685 6.103 1.00 0.00 H new ATOM 0 HG21 VAL 2 19 -6.793 8.081 4.202 1.00 0.00 H new ATOM 0 HG22 VAL 2 19 -7.112 9.771 4.658 1.00 0.00 H new ATOM 0 HG23 VAL 2 19 -6.993 9.320 2.940 1.00 0.00 H new ATOM 1159 N ASP 2 20 -2.870 12.024 2.771 1.00 0.00 N ATOM 1160 CA ASP 2 20 -1.479 12.440 2.742 1.00 0.00 C ATOM 1161 C ASP 2 20 -0.603 11.315 3.297 1.00 0.00 C ATOM 1162 O ASP 2 20 -0.353 11.253 4.500 1.00 0.00 O ATOM 1163 CB ASP 2 20 -1.258 13.682 3.607 1.00 0.00 C ATOM 1164 CG ASP 2 20 0.160 13.840 4.161 1.00 0.00 C ATOM 1165 OD1 ASP 2 20 1.067 14.088 3.338 1.00 0.00 O ATOM 1166 OD2 ASP 2 20 0.305 13.709 5.396 1.00 0.00 O ATOM 0 H ASP 2 20 -3.447 12.411 2.024 1.00 0.00 H new ATOM 0 HA ASP 2 20 -1.217 12.669 1.709 1.00 0.00 H new ATOM 0 HB2 ASP 2 20 -1.502 14.565 3.017 1.00 0.00 H new ATOM 0 HB3 ASP 2 20 -1.957 13.654 4.443 1.00 0.00 H new ATOM 1171 N CYS 2 21 -0.159 10.453 2.393 1.00 0.00 N ATOM 1172 CA CYS 2 21 0.685 9.334 2.777 1.00 0.00 C ATOM 1173 C CYS 2 21 1.908 9.884 3.512 1.00 0.00 C ATOM 1174 O CYS 2 21 2.448 9.230 4.402 1.00 0.00 O ATOM 1175 CB CYS 2 21 1.078 8.482 1.569 1.00 0.00 C ATOM 1176 SG CYS 2 21 0.846 6.680 1.791 1.00 0.00 S ATOM 0 H CYS 2 21 -0.368 10.507 1.396 1.00 0.00 H new ATOM 0 HA CYS 2 21 0.133 8.670 3.442 1.00 0.00 H new ATOM 0 HB2 CYS 2 21 0.493 8.806 0.708 1.00 0.00 H new ATOM 0 HB3 CYS 2 21 2.125 8.673 1.333 1.00 0.00 H new ATOM 1181 N GLY 2 22 2.310 11.081 3.111 1.00 0.00 N ATOM 1182 CA GLY 2 22 3.460 11.727 3.719 1.00 0.00 C ATOM 1183 C GLY 2 22 4.673 10.794 3.726 1.00 0.00 C ATOM 1184 O GLY 2 22 5.248 10.525 4.781 1.00 0.00 O ATOM 0 H GLY 2 22 1.859 11.620 2.372 1.00 0.00 H new ATOM 0 HA2 GLY 2 22 3.701 12.638 3.172 1.00 0.00 H new ATOM 0 HA3 GLY 2 22 3.218 12.022 4.740 1.00 0.00 H new ATOM 1188 N TYR 2 23 5.026 10.326 2.539 1.00 0.00 N ATOM 1189 CA TYR 2 23 6.160 9.429 2.395 1.00 0.00 C ATOM 1190 C TYR 2 23 7.467 10.213 2.265 1.00 0.00 C ATOM 1191 O TYR 2 23 7.500 11.273 1.642 1.00 0.00 O ATOM 1192 CB TYR 2 23 5.918 8.647 1.103 1.00 0.00 C ATOM 1193 CG TYR 2 23 6.258 7.158 1.203 1.00 0.00 C ATOM 1194 CD1 TYR 2 23 5.902 6.443 2.328 1.00 0.00 C ATOM 1195 CD2 TYR 2 23 6.923 6.531 0.169 1.00 0.00 C ATOM 1196 CE1 TYR 2 23 6.223 5.042 2.423 1.00 0.00 C ATOM 1197 CE2 TYR 2 23 7.244 5.130 0.263 1.00 0.00 C ATOM 1198 CZ TYR 2 23 6.878 4.455 1.386 1.00 0.00 C ATOM 1199 OH TYR 2 23 7.181 3.132 1.475 1.00 0.00 O ATOM 0 H TYR 2 23 4.547 10.551 1.667 1.00 0.00 H new ATOM 0 HA TYR 2 23 6.248 8.780 3.266 1.00 0.00 H new ATOM 0 HB2 TYR 2 23 4.871 8.752 0.818 1.00 0.00 H new ATOM 0 HB3 TYR 2 23 6.512 9.092 0.305 1.00 0.00 H new ATOM 0 HD1 TYR 2 23 5.382 6.934 3.138 1.00 0.00 H new ATOM 0 HD2 TYR 2 23 7.203 7.091 -0.711 1.00 0.00 H new ATOM 0 HE1 TYR 2 23 5.950 4.471 3.298 1.00 0.00 H new ATOM 0 HE2 TYR 2 23 7.763 4.627 -0.539 1.00 0.00 H new ATOM 0 HH TYR 2 23 7.717 2.866 0.699 1.00 0.00 H new ATOM 1209 N PRO 2 24 8.541 9.647 2.878 1.00 0.00 N ATOM 1210 CA PRO 2 24 9.848 10.281 2.836 1.00 0.00 C ATOM 1211 C PRO 2 24 10.498 10.109 1.462 1.00 0.00 C ATOM 1212 O PRO 2 24 11.477 10.782 1.146 1.00 0.00 O ATOM 1213 CB PRO 2 24 10.640 9.624 3.955 1.00 0.00 C ATOM 1214 CG PRO 2 24 9.912 8.329 4.276 1.00 0.00 C ATOM 1215 CD PRO 2 24 8.540 8.391 3.624 1.00 0.00 C ATOM 0 HA PRO 2 24 9.797 11.360 2.983 1.00 0.00 H new ATOM 0 HB2 PRO 2 24 11.666 9.428 3.644 1.00 0.00 H new ATOM 0 HB3 PRO 2 24 10.690 10.271 4.830 1.00 0.00 H new ATOM 0 HG2 PRO 2 24 10.474 7.473 3.903 1.00 0.00 H new ATOM 0 HG3 PRO 2 24 9.817 8.202 5.354 1.00 0.00 H new ATOM 0 HD2 PRO 2 24 8.376 7.539 2.965 1.00 0.00 H new ATOM 0 HD3 PRO 2 24 7.746 8.374 4.370 1.00 0.00 H new ATOM 1223 N HIS 2 25 9.926 9.203 0.682 1.00 0.00 N ATOM 1224 CA HIS 2 25 10.437 8.934 -0.652 1.00 0.00 C ATOM 1225 C HIS 2 25 9.339 9.197 -1.685 1.00 0.00 C ATOM 1226 O HIS 2 25 9.339 8.600 -2.761 1.00 0.00 O ATOM 1227 CB HIS 2 25 11.006 7.516 -0.739 1.00 0.00 C ATOM 1228 CG HIS 2 25 12.473 7.464 -1.094 1.00 0.00 C ATOM 1229 ND1 HIS 2 25 13.435 6.964 -0.234 1.00 0.00 N ATOM 1230 CD2 HIS 2 25 13.131 7.854 -2.223 1.00 0.00 C ATOM 1231 CE1 HIS 2 25 14.615 7.054 -0.828 1.00 0.00 C ATOM 1232 NE2 HIS 2 25 14.425 7.607 -2.061 1.00 0.00 N ATOM 0 H HIS 2 25 9.114 8.646 0.948 1.00 0.00 H new ATOM 0 HA HIS 2 25 11.264 9.609 -0.872 1.00 0.00 H new ATOM 0 HB2 HIS 2 25 10.856 7.016 0.218 1.00 0.00 H new ATOM 0 HB3 HIS 2 25 10.442 6.954 -1.484 1.00 0.00 H new ATOM 0 HD2 HIS 2 25 12.676 8.290 -3.100 1.00 0.00 H new ATOM 0 HE1 HIS 2 25 15.561 6.744 -0.410 1.00 0.00 H new ATOM 0 HE2 HIS 2 25 15.157 7.799 -2.745 1.00 0.00 H new ATOM 1241 N VAL 2 26 8.432 10.091 -1.322 1.00 0.00 N ATOM 1242 CA VAL 2 26 7.331 10.440 -2.205 1.00 0.00 C ATOM 1243 C VAL 2 26 7.858 10.600 -3.631 1.00 0.00 C ATOM 1244 O VAL 2 26 8.649 11.500 -3.908 1.00 0.00 O ATOM 1245 CB VAL 2 26 6.622 11.692 -1.685 1.00 0.00 C ATOM 1246 CG1 VAL 2 26 7.624 12.684 -1.091 1.00 0.00 C ATOM 1247 CG2 VAL 2 26 5.790 12.349 -2.790 1.00 0.00 C ATOM 0 H VAL 2 26 8.436 10.584 -0.429 1.00 0.00 H new ATOM 0 HA VAL 2 26 6.587 9.644 -2.222 1.00 0.00 H new ATOM 0 HB VAL 2 26 5.943 11.386 -0.889 1.00 0.00 H new ATOM 0 HG11 VAL 2 26 7.093 13.565 -0.729 1.00 0.00 H new ATOM 0 HG12 VAL 2 26 8.154 12.214 -0.263 1.00 0.00 H new ATOM 0 HG13 VAL 2 26 8.340 12.981 -1.858 1.00 0.00 H new ATOM 0 HG21 VAL 2 26 5.296 13.237 -2.395 1.00 0.00 H new ATOM 0 HG22 VAL 2 26 6.442 12.634 -3.616 1.00 0.00 H new ATOM 0 HG23 VAL 2 26 5.039 11.645 -3.147 1.00 0.00 H new ATOM 1257 N THR 2 27 7.398 9.712 -4.501 1.00 0.00 N ATOM 1258 CA THR 2 27 7.814 9.744 -5.893 1.00 0.00 C ATOM 1259 C THR 2 27 6.920 8.832 -6.737 1.00 0.00 C ATOM 1260 O THR 2 27 6.346 7.872 -6.224 1.00 0.00 O ATOM 1261 CB THR 2 27 9.296 9.368 -5.953 1.00 0.00 C ATOM 1262 OG1 THR 2 27 9.900 10.448 -6.658 1.00 0.00 O ATOM 1263 CG2 THR 2 27 9.555 8.150 -6.843 1.00 0.00 C ATOM 0 H THR 2 27 6.742 8.967 -4.269 1.00 0.00 H new ATOM 0 HA THR 2 27 7.700 10.742 -6.317 1.00 0.00 H new ATOM 0 HB THR 2 27 9.660 9.166 -4.946 1.00 0.00 H new ATOM 0 HG1 THR 2 27 10.863 10.287 -6.741 1.00 0.00 H new ATOM 0 HG21 THR 2 27 10.622 7.925 -6.851 1.00 0.00 H new ATOM 0 HG22 THR 2 27 9.006 7.292 -6.454 1.00 0.00 H new ATOM 0 HG23 THR 2 27 9.222 8.364 -7.858 1.00 0.00 H new ATOM 1271 N PRO 2 28 6.830 9.171 -8.050 1.00 0.00 N ATOM 1272 CA PRO 2 28 6.017 8.394 -8.970 1.00 0.00 C ATOM 1273 C PRO 2 28 6.701 7.072 -9.323 1.00 0.00 C ATOM 1274 O PRO 2 28 6.824 6.727 -10.498 1.00 0.00 O ATOM 1275 CB PRO 2 28 5.812 9.298 -10.174 1.00 0.00 C ATOM 1276 CG PRO 2 28 6.897 10.360 -10.087 1.00 0.00 C ATOM 1277 CD PRO 2 28 7.497 10.301 -8.692 1.00 0.00 C ATOM 0 HA PRO 2 28 5.058 8.102 -8.541 1.00 0.00 H new ATOM 0 HB2 PRO 2 28 5.891 8.734 -11.104 1.00 0.00 H new ATOM 0 HB3 PRO 2 28 4.820 9.750 -10.159 1.00 0.00 H new ATOM 0 HG2 PRO 2 28 7.665 10.184 -10.840 1.00 0.00 H new ATOM 0 HG3 PRO 2 28 6.480 11.348 -10.282 1.00 0.00 H new ATOM 0 HD2 PRO 2 28 8.576 10.154 -8.731 1.00 0.00 H new ATOM 0 HD3 PRO 2 28 7.321 11.228 -8.146 1.00 0.00 H new ATOM 1285 N LYS 2 29 7.128 6.367 -8.286 1.00 0.00 N ATOM 1286 CA LYS 2 29 7.797 5.091 -8.472 1.00 0.00 C ATOM 1287 C LYS 2 29 7.961 4.403 -7.116 1.00 0.00 C ATOM 1288 O LYS 2 29 8.061 3.179 -7.045 1.00 0.00 O ATOM 1289 CB LYS 2 29 9.113 5.281 -9.228 1.00 0.00 C ATOM 1290 CG LYS 2 29 9.769 3.933 -9.534 1.00 0.00 C ATOM 1291 CD LYS 2 29 10.100 3.810 -11.024 1.00 0.00 C ATOM 1292 CE LYS 2 29 10.076 2.348 -11.471 1.00 0.00 C ATOM 1293 NZ LYS 2 29 8.682 1.881 -11.646 1.00 0.00 N ATOM 0 H LYS 2 29 7.024 6.656 -7.313 1.00 0.00 H new ATOM 0 HA LYS 2 29 7.192 4.431 -9.093 1.00 0.00 H new ATOM 0 HB2 LYS 2 29 8.928 5.819 -10.158 1.00 0.00 H new ATOM 0 HB3 LYS 2 29 9.792 5.894 -8.635 1.00 0.00 H new ATOM 0 HG2 LYS 2 29 10.680 3.826 -8.945 1.00 0.00 H new ATOM 0 HG3 LYS 2 29 9.101 3.124 -9.238 1.00 0.00 H new ATOM 0 HD2 LYS 2 29 9.382 4.385 -11.609 1.00 0.00 H new ATOM 0 HD3 LYS 2 29 11.084 4.237 -11.218 1.00 0.00 H new ATOM 0 HE2 LYS 2 29 10.622 2.239 -12.408 1.00 0.00 H new ATOM 0 HE3 LYS 2 29 10.583 1.728 -10.732 1.00 0.00 H new ATOM 0 HZ1 LYS 2 29 8.633 0.859 -11.462 1.00 0.00 H new ATOM 0 HZ2 LYS 2 29 8.061 2.383 -10.979 1.00 0.00 H new ATOM 0 HZ3 LYS 2 29 8.371 2.073 -12.620 1.00 0.00 H new ATOM 1307 N GLU 2 30 7.983 5.220 -6.073 1.00 0.00 N ATOM 1308 CA GLU 2 30 8.133 4.705 -4.722 1.00 0.00 C ATOM 1309 C GLU 2 30 6.769 4.609 -4.036 1.00 0.00 C ATOM 1310 O GLU 2 30 6.463 3.608 -3.392 1.00 0.00 O ATOM 1311 CB GLU 2 30 9.096 5.572 -3.909 1.00 0.00 C ATOM 1312 CG GLU 2 30 10.446 4.874 -3.733 1.00 0.00 C ATOM 1313 CD GLU 2 30 10.682 4.500 -2.267 1.00 0.00 C ATOM 1314 OE1 GLU 2 30 9.670 4.298 -1.563 1.00 0.00 O ATOM 1315 OE2 GLU 2 30 11.871 4.424 -1.886 1.00 0.00 O ATOM 0 H GLU 2 30 7.900 6.235 -6.136 1.00 0.00 H new ATOM 0 HA GLU 2 30 8.559 3.704 -4.781 1.00 0.00 H new ATOM 0 HB2 GLU 2 30 9.240 6.529 -4.410 1.00 0.00 H new ATOM 0 HB3 GLU 2 30 8.663 5.785 -2.932 1.00 0.00 H new ATOM 0 HG2 GLU 2 30 10.479 3.977 -4.351 1.00 0.00 H new ATOM 0 HG3 GLU 2 30 11.246 5.529 -4.079 1.00 0.00 H new ATOM 1322 N CYS 2 31 5.986 5.666 -4.198 1.00 0.00 N ATOM 1323 CA CYS 2 31 4.661 5.714 -3.602 1.00 0.00 C ATOM 1324 C CYS 2 31 3.821 4.588 -4.208 1.00 0.00 C ATOM 1325 O CYS 2 31 3.281 3.753 -3.483 1.00 0.00 O ATOM 1326 CB CYS 2 31 4.004 7.082 -3.793 1.00 0.00 C ATOM 1327 SG CYS 2 31 4.525 8.359 -2.590 1.00 0.00 S ATOM 0 H CYS 2 31 6.243 6.495 -4.733 1.00 0.00 H new ATOM 0 HA CYS 2 31 4.739 5.569 -2.524 1.00 0.00 H new ATOM 0 HB2 CYS 2 31 4.226 7.439 -4.799 1.00 0.00 H new ATOM 0 HB3 CYS 2 31 2.923 6.962 -3.729 1.00 0.00 H new ATOM 1332 N ASN 2 32 3.737 4.601 -5.530 1.00 0.00 N ATOM 1333 CA ASN 2 32 2.972 3.591 -6.241 1.00 0.00 C ATOM 1334 C ASN 2 32 3.622 2.222 -6.031 1.00 0.00 C ATOM 1335 O ASN 2 32 3.091 1.205 -6.472 1.00 0.00 O ATOM 1336 CB ASN 2 32 2.945 3.877 -7.744 1.00 0.00 C ATOM 1337 CG ASN 2 32 1.736 4.734 -8.119 1.00 0.00 C ATOM 1338 OD1 ASN 2 32 1.624 5.853 -7.407 1.00 0.00 O flip ATOM 1339 ND2 ASN 2 32 0.954 4.403 -8.995 1.00 0.00 N flip ATOM 0 H ASN 2 32 4.186 5.295 -6.127 1.00 0.00 H new ATOM 0 HA ASN 2 32 1.953 3.605 -5.853 1.00 0.00 H new ATOM 0 HB2 ASN 2 32 3.862 4.388 -8.037 1.00 0.00 H new ATOM 0 HB3 ASN 2 32 2.914 2.937 -8.296 1.00 0.00 H new ATOM 0 HD21 ASN 2 32 1.098 3.531 -9.504 1.00 0.00 H new ATOM 0 HD22 ASN 2 32 0.157 4.998 -9.218 1.00 0.00 H new ATOM 1346 N ASN 2 33 4.763 2.242 -5.357 1.00 0.00 N ATOM 1347 CA ASN 2 33 5.492 1.016 -5.083 1.00 0.00 C ATOM 1348 C ASN 2 33 5.262 0.606 -3.627 1.00 0.00 C ATOM 1349 O ASN 2 33 5.286 -0.580 -3.301 1.00 0.00 O ATOM 1350 CB ASN 2 33 6.995 1.210 -5.289 1.00 0.00 C ATOM 1351 CG ASN 2 33 7.782 0.019 -4.738 1.00 0.00 C ATOM 1352 OD1 ASN 2 33 7.466 -1.133 -4.980 1.00 0.00 O ATOM 1353 ND2 ASN 2 33 8.825 0.362 -3.986 1.00 0.00 N ATOM 0 H ASN 2 33 5.200 3.089 -4.993 1.00 0.00 H new ATOM 0 HA ASN 2 33 5.131 0.249 -5.768 1.00 0.00 H new ATOM 0 HB2 ASN 2 33 7.208 1.331 -6.351 1.00 0.00 H new ATOM 0 HB3 ASN 2 33 7.319 2.125 -4.793 1.00 0.00 H new ATOM 0 HD21 ASN 2 33 9.415 -0.360 -3.573 1.00 0.00 H new ATOM 0 HD22 ASN 2 33 9.034 1.347 -3.823 1.00 0.00 H new ATOM 1360 N ARG 2 34 5.048 1.610 -2.790 1.00 0.00 N ATOM 1361 CA ARG 2 34 4.815 1.369 -1.376 1.00 0.00 C ATOM 1362 C ARG 2 34 3.330 1.104 -1.120 1.00 0.00 C ATOM 1363 O ARG 2 34 2.978 0.363 -0.204 1.00 0.00 O ATOM 1364 CB ARG 2 34 5.265 2.563 -0.533 1.00 0.00 C ATOM 1365 CG ARG 2 34 4.151 3.607 -0.421 1.00 0.00 C ATOM 1366 CD ARG 2 34 3.184 3.258 0.712 1.00 0.00 C ATOM 1367 NE ARG 2 34 3.371 4.194 1.843 1.00 0.00 N ATOM 1368 CZ ARG 2 34 2.940 3.962 3.091 1.00 0.00 C ATOM 1369 NH1 ARG 2 34 2.296 2.822 3.374 1.00 0.00 N ATOM 1370 NH2 ARG 2 34 3.154 4.869 4.053 1.00 0.00 N ATOM 0 H ARG 2 34 5.031 2.592 -3.064 1.00 0.00 H new ATOM 0 HA ARG 2 34 5.398 0.494 -1.088 1.00 0.00 H new ATOM 0 HB2 ARG 2 34 5.551 2.223 0.462 1.00 0.00 H new ATOM 0 HB3 ARG 2 34 6.149 3.016 -0.981 1.00 0.00 H new ATOM 0 HG2 ARG 2 34 4.586 4.590 -0.243 1.00 0.00 H new ATOM 0 HG3 ARG 2 34 3.607 3.666 -1.363 1.00 0.00 H new ATOM 0 HD2 ARG 2 34 2.156 3.309 0.353 1.00 0.00 H new ATOM 0 HD3 ARG 2 34 3.355 2.234 1.044 1.00 0.00 H new ATOM 0 HE ARG 2 34 3.859 5.071 1.661 1.00 0.00 H new ATOM 0 HH11 ARG 2 34 2.134 2.132 2.640 1.00 0.00 H new ATOM 0 HH12 ARG 2 34 1.967 2.644 4.323 1.00 0.00 H new ATOM 0 HH21 ARG 2 34 3.645 5.736 3.836 1.00 0.00 H new ATOM 0 HH22 ARG 2 34 2.826 4.692 5.003 1.00 0.00 H new ATOM 1384 N GLY 2 35 2.500 1.722 -1.947 1.00 0.00 N ATOM 1385 CA GLY 2 35 1.061 1.560 -1.822 1.00 0.00 C ATOM 1386 C GLY 2 35 0.363 2.920 -1.745 1.00 0.00 C ATOM 1387 O GLY 2 35 -0.745 3.023 -1.221 1.00 0.00 O ATOM 0 H GLY 2 35 2.796 2.336 -2.706 1.00 0.00 H new ATOM 0 HA2 GLY 2 35 0.679 0.998 -2.674 1.00 0.00 H new ATOM 0 HA3 GLY 2 35 0.833 0.978 -0.929 1.00 0.00 H new ATOM 1391 N CYS 2 36 1.039 3.928 -2.276 1.00 0.00 N ATOM 1392 CA CYS 2 36 0.496 5.276 -2.274 1.00 0.00 C ATOM 1393 C CYS 2 36 0.322 5.725 -3.726 1.00 0.00 C ATOM 1394 O CYS 2 36 0.716 5.016 -4.651 1.00 0.00 O ATOM 1395 CB CYS 2 36 1.380 6.240 -1.481 1.00 0.00 C ATOM 1396 SG CYS 2 36 1.585 5.815 0.287 1.00 0.00 S ATOM 0 H CYS 2 36 1.958 3.839 -2.710 1.00 0.00 H new ATOM 0 HA CYS 2 36 -0.473 5.280 -1.774 1.00 0.00 H new ATOM 0 HB2 CYS 2 36 2.364 6.276 -1.948 1.00 0.00 H new ATOM 0 HB3 CYS 2 36 0.956 7.242 -1.553 1.00 0.00 H new ATOM 1401 N CYS 2 37 -0.269 6.902 -3.882 1.00 0.00 N ATOM 1402 CA CYS 2 37 -0.499 7.453 -5.206 1.00 0.00 C ATOM 1403 C CYS 2 37 0.166 8.829 -5.276 1.00 0.00 C ATOM 1404 O CYS 2 37 -0.118 9.703 -4.458 1.00 0.00 O ATOM 1405 CB CYS 2 37 -1.992 7.524 -5.537 1.00 0.00 C ATOM 1406 SG CYS 2 37 -2.385 7.470 -7.323 1.00 0.00 S ATOM 0 H CYS 2 37 -0.595 7.488 -3.113 1.00 0.00 H new ATOM 0 HA CYS 2 37 -0.057 6.798 -5.957 1.00 0.00 H new ATOM 0 HB2 CYS 2 37 -2.499 6.696 -5.042 1.00 0.00 H new ATOM 0 HB3 CYS 2 37 -2.400 8.444 -5.117 1.00 0.00 H new ATOM 0 HG CYS 2 37 -3.673 7.534 -7.486 1.00 0.00 H new ATOM 1411 N PHE 2 38 1.041 8.979 -6.261 1.00 0.00 N ATOM 1412 CA PHE 2 38 1.750 10.233 -6.448 1.00 0.00 C ATOM 1413 C PHE 2 38 0.983 11.161 -7.394 1.00 0.00 C ATOM 1414 O PHE 2 38 0.699 10.794 -8.533 1.00 0.00 O ATOM 1415 CB PHE 2 38 3.104 9.892 -7.073 1.00 0.00 C ATOM 1416 CG PHE 2 38 4.022 11.101 -7.263 1.00 0.00 C ATOM 1417 CD1 PHE 2 38 4.716 11.601 -6.205 1.00 0.00 C ATOM 1418 CD2 PHE 2 38 4.147 11.675 -8.490 1.00 0.00 C ATOM 1419 CE1 PHE 2 38 5.569 12.723 -6.382 1.00 0.00 C ATOM 1420 CE2 PHE 2 38 5.000 12.797 -8.666 1.00 0.00 C ATOM 1421 CZ PHE 2 38 5.693 13.296 -7.608 1.00 0.00 C ATOM 0 H PHE 2 38 1.274 8.252 -6.938 1.00 0.00 H new ATOM 0 HA PHE 2 38 1.861 10.744 -5.492 1.00 0.00 H new ATOM 0 HB2 PHE 2 38 3.610 9.160 -6.443 1.00 0.00 H new ATOM 0 HB3 PHE 2 38 2.937 9.419 -8.041 1.00 0.00 H new ATOM 0 HD1 PHE 2 38 4.618 11.145 -5.231 1.00 0.00 H new ATOM 0 HD2 PHE 2 38 3.598 11.277 -9.330 1.00 0.00 H new ATOM 0 HE1 PHE 2 38 6.119 13.121 -5.542 1.00 0.00 H new ATOM 0 HE2 PHE 2 38 5.098 13.254 -9.640 1.00 0.00 H new ATOM 0 HZ PHE 2 38 6.343 14.148 -7.742 1.00 0.00 H new ATOM 1431 N ASP 2 39 0.670 12.343 -6.886 1.00 0.00 N ATOM 1432 CA ASP 2 39 -0.058 13.326 -7.670 1.00 0.00 C ATOM 1433 C ASP 2 39 0.938 14.211 -8.422 1.00 0.00 C ATOM 1434 O ASP 2 39 1.234 13.965 -9.590 1.00 0.00 O ATOM 1435 CB ASP 2 39 -0.908 14.227 -6.773 1.00 0.00 C ATOM 1436 CG ASP 2 39 -1.618 15.375 -7.495 1.00 0.00 C ATOM 1437 OD1 ASP 2 39 -2.547 15.066 -8.272 1.00 0.00 O ATOM 1438 OD2 ASP 2 39 -1.216 16.532 -7.252 1.00 0.00 O ATOM 0 H ASP 2 39 0.907 12.643 -5.940 1.00 0.00 H new ATOM 0 HA ASP 2 39 -0.708 12.791 -8.362 1.00 0.00 H new ATOM 0 HB2 ASP 2 39 -1.658 13.613 -6.273 1.00 0.00 H new ATOM 0 HB3 ASP 2 39 -0.269 14.646 -5.996 1.00 0.00 H new ATOM 1443 N SER 2 40 1.428 15.223 -7.721 1.00 0.00 N ATOM 1444 CA SER 2 40 2.384 16.146 -8.307 1.00 0.00 C ATOM 1445 C SER 2 40 1.647 17.288 -9.009 1.00 0.00 C ATOM 1446 O SER 2 40 2.242 18.317 -9.323 1.00 0.00 O ATOM 1447 CB SER 2 40 3.310 15.429 -9.291 1.00 0.00 C ATOM 1448 OG SER 2 40 4.645 15.925 -9.227 1.00 0.00 O ATOM 0 H SER 2 40 1.180 15.424 -6.752 1.00 0.00 H new ATOM 0 HA SER 2 40 2.998 16.557 -7.505 1.00 0.00 H new ATOM 0 HB2 SER 2 40 3.310 14.360 -9.076 1.00 0.00 H new ATOM 0 HB3 SER 2 40 2.926 15.550 -10.304 1.00 0.00 H new ATOM 0 HG SER 2 40 5.230 15.241 -8.840 1.00 0.00 H new ATOM 1454 N ARG 2 41 0.359 17.068 -9.236 1.00 0.00 N ATOM 1455 CA ARG 2 41 -0.466 18.065 -9.896 1.00 0.00 C ATOM 1456 C ARG 2 41 -0.568 19.324 -9.033 1.00 0.00 C ATOM 1457 O ARG 2 41 -0.480 20.440 -9.543 1.00 0.00 O ATOM 1458 CB ARG 2 41 -1.872 17.525 -10.168 1.00 0.00 C ATOM 1459 CG ARG 2 41 -1.814 16.231 -10.981 1.00 0.00 C ATOM 1460 CD ARG 2 41 -3.020 16.118 -11.917 1.00 0.00 C ATOM 1461 NE ARG 2 41 -2.578 16.221 -13.326 1.00 0.00 N ATOM 1462 CZ ARG 2 41 -1.991 15.225 -14.004 1.00 0.00 C ATOM 1463 NH1 ARG 2 41 -1.770 14.047 -13.405 1.00 0.00 N ATOM 1464 NH2 ARG 2 41 -1.624 15.408 -15.279 1.00 0.00 N ATOM 0 H ARG 2 41 -0.133 16.213 -8.974 1.00 0.00 H new ATOM 0 HA ARG 2 41 0.006 18.310 -10.847 1.00 0.00 H new ATOM 0 HB2 ARG 2 41 -2.384 17.343 -9.223 1.00 0.00 H new ATOM 0 HB3 ARG 2 41 -2.454 18.272 -10.708 1.00 0.00 H new ATOM 0 HG2 ARG 2 41 -0.893 16.204 -11.563 1.00 0.00 H new ATOM 0 HG3 ARG 2 41 -1.790 15.375 -10.307 1.00 0.00 H new ATOM 0 HD2 ARG 2 41 -3.529 15.168 -11.755 1.00 0.00 H new ATOM 0 HD3 ARG 2 41 -3.739 16.906 -11.694 1.00 0.00 H new ATOM 0 HE ARG 2 41 -2.730 17.105 -13.811 1.00 0.00 H new ATOM 0 HH11 ARG 2 41 -2.048 13.909 -12.434 1.00 0.00 H new ATOM 0 HH12 ARG 2 41 -1.323 13.289 -13.920 1.00 0.00 H new ATOM 0 HH21 ARG 2 41 -1.791 16.305 -15.734 1.00 0.00 H new ATOM 0 HH22 ARG 2 41 -1.177 14.650 -15.795 1.00 0.00 H new ATOM 1478 N ILE 2 42 -0.754 19.103 -7.740 1.00 0.00 N ATOM 1479 CA ILE 2 42 -0.870 20.206 -6.801 1.00 0.00 C ATOM 1480 C ILE 2 42 0.227 20.086 -5.742 1.00 0.00 C ATOM 1481 O ILE 2 42 0.202 19.173 -4.917 1.00 0.00 O ATOM 1482 CB ILE 2 42 -2.283 20.268 -6.219 1.00 0.00 C ATOM 1483 CG1 ILE 2 42 -3.302 19.665 -7.187 1.00 0.00 C ATOM 1484 CG2 ILE 2 42 -2.649 21.698 -5.818 1.00 0.00 C ATOM 1485 CD1 ILE 2 42 -4.732 20.012 -6.766 1.00 0.00 C ATOM 0 H ILE 2 42 -0.827 18.176 -7.320 1.00 0.00 H new ATOM 0 HA ILE 2 42 -0.719 21.158 -7.311 1.00 0.00 H new ATOM 0 HB ILE 2 42 -2.305 19.664 -5.312 1.00 0.00 H new ATOM 0 HG12 ILE 2 42 -3.116 20.037 -8.195 1.00 0.00 H new ATOM 0 HG13 ILE 2 42 -3.181 18.582 -7.219 1.00 0.00 H new ATOM 0 HG21 ILE 2 42 -3.659 21.714 -5.407 1.00 0.00 H new ATOM 0 HG22 ILE 2 42 -1.946 22.056 -5.066 1.00 0.00 H new ATOM 0 HG23 ILE 2 42 -2.604 22.345 -6.694 1.00 0.00 H new ATOM 0 HD11 ILE 2 42 -5.436 19.571 -7.471 1.00 0.00 H new ATOM 0 HD12 ILE 2 42 -4.923 19.618 -5.768 1.00 0.00 H new ATOM 0 HD13 ILE 2 42 -4.856 21.095 -6.758 1.00 0.00 H new ATOM 1497 N PRO 2 43 1.190 21.044 -5.799 1.00 0.00 N ATOM 1498 CA PRO 2 43 2.294 21.054 -4.855 1.00 0.00 C ATOM 1499 C PRO 2 43 1.836 21.548 -3.481 1.00 0.00 C ATOM 1500 O PRO 2 43 2.606 21.526 -2.521 1.00 0.00 O ATOM 1501 CB PRO 2 43 3.346 21.950 -5.488 1.00 0.00 C ATOM 1502 CG PRO 2 43 2.614 22.777 -6.533 1.00 0.00 C ATOM 1503 CD PRO 2 43 1.253 22.140 -6.762 1.00 0.00 C ATOM 0 HA PRO 2 43 2.698 20.059 -4.670 1.00 0.00 H new ATOM 0 HB2 PRO 2 43 3.815 22.591 -4.741 1.00 0.00 H new ATOM 0 HB3 PRO 2 43 4.140 21.359 -5.944 1.00 0.00 H new ATOM 0 HG2 PRO 2 43 2.501 23.807 -6.194 1.00 0.00 H new ATOM 0 HG3 PRO 2 43 3.182 22.807 -7.463 1.00 0.00 H new ATOM 0 HD2 PRO 2 43 0.448 22.857 -6.600 1.00 0.00 H new ATOM 0 HD3 PRO 2 43 1.153 21.775 -7.784 1.00 0.00 H new ATOM 1511 N GLY 2 44 0.585 21.981 -3.429 1.00 0.00 N ATOM 1512 CA GLY 2 44 0.015 22.479 -2.190 1.00 0.00 C ATOM 1513 C GLY 2 44 -0.731 21.371 -1.445 1.00 0.00 C ATOM 1514 O GLY 2 44 -1.195 21.575 -0.325 1.00 0.00 O ATOM 0 H GLY 2 44 -0.050 21.997 -4.227 1.00 0.00 H new ATOM 0 HA2 GLY 2 44 0.807 22.879 -1.556 1.00 0.00 H new ATOM 0 HA3 GLY 2 44 -0.668 23.301 -2.404 1.00 0.00 H new ATOM 1518 N VAL 2 45 -0.824 20.222 -2.098 1.00 0.00 N ATOM 1519 CA VAL 2 45 -1.506 19.080 -1.512 1.00 0.00 C ATOM 1520 C VAL 2 45 -0.528 17.909 -1.400 1.00 0.00 C ATOM 1521 O VAL 2 45 0.645 18.040 -1.746 1.00 0.00 O ATOM 1522 CB VAL 2 45 -2.754 18.741 -2.329 1.00 0.00 C ATOM 1523 CG1 VAL 2 45 -3.368 20.001 -2.942 1.00 0.00 C ATOM 1524 CG2 VAL 2 45 -2.438 17.704 -3.409 1.00 0.00 C ATOM 0 H VAL 2 45 -0.438 20.057 -3.028 1.00 0.00 H new ATOM 0 HA VAL 2 45 -1.847 19.315 -0.504 1.00 0.00 H new ATOM 0 HB VAL 2 45 -3.489 18.306 -1.652 1.00 0.00 H new ATOM 0 HG11 VAL 2 45 -4.254 19.731 -3.517 1.00 0.00 H new ATOM 0 HG12 VAL 2 45 -3.648 20.693 -2.148 1.00 0.00 H new ATOM 0 HG13 VAL 2 45 -2.640 20.478 -3.598 1.00 0.00 H new ATOM 0 HG21 VAL 2 45 -3.342 17.481 -3.975 1.00 0.00 H new ATOM 0 HG22 VAL 2 45 -1.677 18.100 -4.082 1.00 0.00 H new ATOM 0 HG23 VAL 2 45 -2.069 16.792 -2.940 1.00 0.00 H new ATOM 1534 N PRO 2 46 -1.061 16.762 -0.901 1.00 0.00 N ATOM 1535 CA PRO 2 46 -0.248 15.568 -0.738 1.00 0.00 C ATOM 1536 C PRO 2 46 0.019 14.899 -2.088 1.00 0.00 C ATOM 1537 O PRO 2 46 -0.910 14.438 -2.750 1.00 0.00 O ATOM 1538 CB PRO 2 46 -1.032 14.685 0.218 1.00 0.00 C ATOM 1539 CG PRO 2 46 -2.460 15.206 0.191 1.00 0.00 C ATOM 1540 CD PRO 2 46 -2.446 16.570 -0.479 1.00 0.00 C ATOM 0 HA PRO 2 46 0.742 15.785 -0.337 1.00 0.00 H new ATOM 0 HB2 PRO 2 46 -0.991 13.641 -0.092 1.00 0.00 H new ATOM 0 HB3 PRO 2 46 -0.617 14.735 1.225 1.00 0.00 H new ATOM 0 HG2 PRO 2 46 -3.107 14.519 -0.355 1.00 0.00 H new ATOM 0 HG3 PRO 2 46 -2.858 15.282 1.203 1.00 0.00 H new ATOM 0 HD2 PRO 2 46 -3.127 16.600 -1.330 1.00 0.00 H new ATOM 0 HD3 PRO 2 46 -2.762 17.353 0.210 1.00 0.00 H new ATOM 1548 N TRP 2 47 1.292 14.866 -2.455 1.00 0.00 N ATOM 1549 CA TRP 2 47 1.692 14.260 -3.714 1.00 0.00 C ATOM 1550 C TRP 2 47 1.983 12.781 -3.455 1.00 0.00 C ATOM 1551 O TRP 2 47 2.796 12.173 -4.150 1.00 0.00 O ATOM 1552 CB TRP 2 47 2.880 15.005 -4.327 1.00 0.00 C ATOM 1553 CG TRP 2 47 3.191 16.342 -3.653 1.00 0.00 C ATOM 1554 CD1 TRP 2 47 2.519 17.497 -3.761 1.00 0.00 C ATOM 1555 CD2 TRP 2 47 4.288 16.618 -2.756 1.00 0.00 C ATOM 1556 NE1 TRP 2 47 3.100 18.493 -3.003 1.00 0.00 N ATOM 1557 CE2 TRP 2 47 4.210 17.941 -2.372 1.00 0.00 C ATOM 1558 CE3 TRP 2 47 5.310 15.777 -2.285 1.00 0.00 C ATOM 1559 CZ2 TRP 2 47 5.126 18.542 -1.500 1.00 0.00 C ATOM 1560 CZ3 TRP 2 47 6.219 16.393 -1.414 1.00 0.00 C ATOM 1561 CH2 TRP 2 47 6.154 17.724 -1.018 1.00 0.00 C ATOM 0 H TRP 2 47 2.059 15.249 -1.903 1.00 0.00 H new ATOM 0 HA TRP 2 47 0.891 14.333 -4.450 1.00 0.00 H new ATOM 0 HB2 TRP 2 47 3.763 14.368 -4.272 1.00 0.00 H new ATOM 0 HB3 TRP 2 47 2.679 15.181 -5.384 1.00 0.00 H new ATOM 0 HD1 TRP 2 47 1.634 17.631 -4.365 1.00 0.00 H new ATOM 0 HE1 TRP 2 47 2.775 19.456 -2.921 1.00 0.00 H new ATOM 0 HE3 TRP 2 47 5.389 14.739 -2.571 1.00 0.00 H new ATOM 0 HZ2 TRP 2 47 5.044 19.580 -1.215 1.00 0.00 H new ATOM 0 HZ3 TRP 2 47 7.026 15.792 -1.023 1.00 0.00 H new ATOM 0 HH2 TRP 2 47 6.894 18.125 -0.341 1.00 0.00 H new ATOM 1572 N CYS 2 48 1.304 12.243 -2.453 1.00 0.00 N ATOM 1573 CA CYS 2 48 1.479 10.846 -2.095 1.00 0.00 C ATOM 1574 C CYS 2 48 0.417 10.480 -1.056 1.00 0.00 C ATOM 1575 O CYS 2 48 0.500 10.899 0.098 1.00 0.00 O ATOM 1576 CB CYS 2 48 2.894 10.567 -1.585 1.00 0.00 C ATOM 1577 SG CYS 2 48 3.267 8.801 -1.285 1.00 0.00 S ATOM 0 H CYS 2 48 0.631 12.750 -1.877 1.00 0.00 H new ATOM 0 HA CYS 2 48 1.351 10.222 -2.980 1.00 0.00 H new ATOM 0 HB2 CYS 2 48 3.609 10.957 -2.309 1.00 0.00 H new ATOM 0 HB3 CYS 2 48 3.046 11.119 -0.657 1.00 0.00 H new ATOM 1582 N PHE 2 49 -0.558 9.701 -1.503 1.00 0.00 N ATOM 1583 CA PHE 2 49 -1.636 9.274 -0.627 1.00 0.00 C ATOM 1584 C PHE 2 49 -2.020 7.818 -0.901 1.00 0.00 C ATOM 1585 O PHE 2 49 -1.306 7.106 -1.603 1.00 0.00 O ATOM 1586 CB PHE 2 49 -2.837 10.172 -0.925 1.00 0.00 C ATOM 1587 CG PHE 2 49 -2.854 10.738 -2.346 1.00 0.00 C ATOM 1588 CD1 PHE 2 49 -1.899 11.622 -2.737 1.00 0.00 C ATOM 1589 CD2 PHE 2 49 -3.825 10.356 -3.219 1.00 0.00 C ATOM 1590 CE1 PHE 2 49 -1.914 12.147 -4.057 1.00 0.00 C ATOM 1591 CE2 PHE 2 49 -3.841 10.881 -4.538 1.00 0.00 C ATOM 1592 CZ PHE 2 49 -2.884 11.766 -4.929 1.00 0.00 C ATOM 0 H PHE 2 49 -0.624 9.355 -2.460 1.00 0.00 H new ATOM 0 HA PHE 2 49 -1.322 9.349 0.414 1.00 0.00 H new ATOM 0 HB2 PHE 2 49 -3.752 9.603 -0.761 1.00 0.00 H new ATOM 0 HB3 PHE 2 49 -2.844 10.999 -0.215 1.00 0.00 H new ATOM 0 HD1 PHE 2 49 -1.128 11.926 -2.044 1.00 0.00 H new ATOM 0 HD2 PHE 2 49 -4.584 9.653 -2.909 1.00 0.00 H new ATOM 0 HE1 PHE 2 49 -1.154 12.849 -4.367 1.00 0.00 H new ATOM 0 HE2 PHE 2 49 -4.612 10.578 -5.231 1.00 0.00 H new ATOM 0 HZ PHE 2 49 -2.895 12.166 -5.932 1.00 0.00 H new ATOM 1602 N LYS 2 50 -3.149 7.422 -0.332 1.00 0.00 N ATOM 1603 CA LYS 2 50 -3.638 6.064 -0.508 1.00 0.00 C ATOM 1604 C LYS 2 50 -5.049 6.107 -1.097 1.00 0.00 C ATOM 1605 O LYS 2 50 -6.017 5.747 -0.428 1.00 0.00 O ATOM 1606 CB LYS 2 50 -3.544 5.287 0.808 1.00 0.00 C ATOM 1607 CG LYS 2 50 -4.179 6.075 1.956 1.00 0.00 C ATOM 1608 CD LYS 2 50 -3.110 6.630 2.897 1.00 0.00 C ATOM 1609 CE LYS 2 50 -2.233 5.508 3.454 1.00 0.00 C ATOM 1610 NZ LYS 2 50 -2.103 5.631 4.924 1.00 0.00 N ATOM 0 H LYS 2 50 -3.739 8.016 0.251 1.00 0.00 H new ATOM 0 HA LYS 2 50 -3.013 5.522 -1.218 1.00 0.00 H new ATOM 0 HB2 LYS 2 50 -4.044 4.324 0.703 1.00 0.00 H new ATOM 0 HB3 LYS 2 50 -2.499 5.080 1.038 1.00 0.00 H new ATOM 0 HG2 LYS 2 50 -4.775 6.894 1.554 1.00 0.00 H new ATOM 0 HG3 LYS 2 50 -4.859 5.430 2.512 1.00 0.00 H new ATOM 0 HD2 LYS 2 50 -2.490 7.350 2.364 1.00 0.00 H new ATOM 0 HD3 LYS 2 50 -3.586 7.166 3.718 1.00 0.00 H new ATOM 0 HE2 LYS 2 50 -2.667 4.540 3.201 1.00 0.00 H new ATOM 0 HE3 LYS 2 50 -1.247 5.546 2.992 1.00 0.00 H new ATOM 0 HZ1 LYS 2 50 -2.046 4.683 5.348 1.00 0.00 H new ATOM 0 HZ2 LYS 2 50 -1.241 6.165 5.153 1.00 0.00 H new ATOM 0 HZ3 LYS 2 50 -2.931 6.131 5.305 1.00 0.00 H new ATOM 1624 N PRO 2 51 -5.123 6.561 -2.376 1.00 0.00 N ATOM 1625 CA PRO 2 51 -6.401 6.656 -3.064 1.00 0.00 C ATOM 1626 C PRO 2 51 -6.898 5.272 -3.490 1.00 0.00 C ATOM 1627 O PRO 2 51 -7.579 4.591 -2.725 1.00 0.00 O ATOM 1628 CB PRO 2 51 -6.146 7.583 -4.241 1.00 0.00 C ATOM 1629 CG PRO 2 51 -4.639 7.603 -4.438 1.00 0.00 C ATOM 1630 CD PRO 2 51 -3.999 6.996 -3.200 1.00 0.00 C ATOM 0 HA PRO 2 51 -7.193 7.050 -2.428 1.00 0.00 H new ATOM 0 HB2 PRO 2 51 -6.652 7.224 -5.137 1.00 0.00 H new ATOM 0 HB3 PRO 2 51 -6.527 8.584 -4.039 1.00 0.00 H new ATOM 0 HG2 PRO 2 51 -4.363 7.036 -5.327 1.00 0.00 H new ATOM 0 HG3 PRO 2 51 -4.287 8.624 -4.588 1.00 0.00 H new ATOM 0 HD2 PRO 2 51 -3.351 6.159 -3.459 1.00 0.00 H new ATOM 0 HD3 PRO 2 51 -3.382 7.726 -2.675 1.00 0.00 H new ATOM 1638 N LEU 2 52 -6.536 4.898 -4.708 1.00 0.00 N ATOM 1639 CA LEU 2 52 -6.937 3.608 -5.244 1.00 0.00 C ATOM 1640 C LEU 2 52 -5.743 2.653 -5.210 1.00 0.00 C ATOM 1641 O LEU 2 52 -5.659 1.729 -6.018 1.00 0.00 O ATOM 1642 CB LEU 2 52 -7.552 3.775 -6.636 1.00 0.00 C ATOM 1643 CG LEU 2 52 -6.592 3.617 -7.816 1.00 0.00 C ATOM 1644 CD1 LEU 2 52 -6.890 2.338 -8.600 1.00 0.00 C ATOM 1645 CD2 LEU 2 52 -6.617 4.857 -8.713 1.00 0.00 C ATOM 0 H LEU 2 52 -5.970 5.465 -5.339 1.00 0.00 H new ATOM 0 HA LEU 2 52 -7.718 3.164 -4.626 1.00 0.00 H new ATOM 0 HB2 LEU 2 52 -8.355 3.046 -6.746 1.00 0.00 H new ATOM 0 HB3 LEU 2 52 -8.008 4.763 -6.694 1.00 0.00 H new ATOM 0 HG LEU 2 52 -5.580 3.524 -7.422 1.00 0.00 H new ATOM 0 HD11 LEU 2 52 -6.193 2.251 -9.433 1.00 0.00 H new ATOM 0 HD12 LEU 2 52 -6.780 1.475 -7.943 1.00 0.00 H new ATOM 0 HD13 LEU 2 52 -7.910 2.375 -8.983 1.00 0.00 H new ATOM 0 HD21 LEU 2 52 -5.926 4.719 -9.544 1.00 0.00 H new ATOM 0 HD22 LEU 2 52 -7.625 5.006 -9.100 1.00 0.00 H new ATOM 0 HD23 LEU 2 52 -6.318 5.731 -8.134 1.00 0.00 H new ATOM 1657 N GLN 2 53 -4.849 2.909 -4.266 1.00 0.00 N ATOM 1658 CA GLN 2 53 -3.662 2.082 -4.115 1.00 0.00 C ATOM 1659 C GLN 2 53 -4.051 0.604 -4.052 1.00 0.00 C ATOM 1660 O GLN 2 53 -3.196 -0.272 -4.186 1.00 0.00 O ATOM 1661 CB GLN 2 53 -2.862 2.493 -2.878 1.00 0.00 C ATOM 1662 CG GLN 2 53 -3.728 3.300 -1.908 1.00 0.00 C ATOM 1663 CD GLN 2 53 -5.048 2.581 -1.621 1.00 0.00 C ATOM 1664 OE1 GLN 2 53 -4.933 1.259 -1.524 1.00 0.00 O flip ATOM 1665 NE2 GLN 2 53 -6.100 3.185 -1.497 1.00 0.00 N flip ATOM 0 H GLN 2 53 -4.922 3.677 -3.598 1.00 0.00 H new ATOM 0 HA GLN 2 53 -3.024 2.232 -4.986 1.00 0.00 H new ATOM 0 HB2 GLN 2 53 -2.479 1.604 -2.376 1.00 0.00 H new ATOM 0 HB3 GLN 2 53 -1.998 3.086 -3.179 1.00 0.00 H new ATOM 0 HG2 GLN 2 53 -3.186 3.457 -0.976 1.00 0.00 H new ATOM 0 HG3 GLN 2 53 -3.931 4.285 -2.329 1.00 0.00 H new ATOM 0 HE21 GLN 2 53 -6.118 4.201 -1.583 1.00 0.00 H new ATOM 0 HE22 GLN 2 53 -6.962 2.674 -1.307 1.00 0.00 H new ATOM 1674 N GLU 2 54 -5.338 0.370 -3.850 1.00 0.00 N ATOM 1675 CA GLU 2 54 -5.850 -0.988 -3.767 1.00 0.00 C ATOM 1676 C GLU 2 54 -5.362 -1.811 -4.962 1.00 0.00 C ATOM 1677 O GLU 2 54 -5.378 -3.041 -4.920 1.00 0.00 O ATOM 1678 CB GLU 2 54 -7.377 -0.995 -3.684 1.00 0.00 C ATOM 1679 CG GLU 2 54 -7.995 -0.271 -4.882 1.00 0.00 C ATOM 1680 CD GLU 2 54 -8.566 -1.269 -5.891 1.00 0.00 C ATOM 1681 OE1 GLU 2 54 -9.117 -2.292 -5.428 1.00 0.00 O ATOM 1682 OE2 GLU 2 54 -8.440 -0.987 -7.102 1.00 0.00 O ATOM 0 H GLU 2 54 -6.044 1.099 -3.741 1.00 0.00 H new ATOM 0 HA GLU 2 54 -5.468 -1.445 -2.854 1.00 0.00 H new ATOM 0 HB2 GLU 2 54 -7.738 -2.023 -3.650 1.00 0.00 H new ATOM 0 HB3 GLU 2 54 -7.697 -0.514 -2.760 1.00 0.00 H new ATOM 0 HG2 GLU 2 54 -8.785 0.397 -4.540 1.00 0.00 H new ATOM 0 HG3 GLU 2 54 -7.240 0.349 -5.366 1.00 0.00 H new ATOM 1689 N ALA 2 55 -4.940 -1.101 -5.997 1.00 0.00 N ATOM 1690 CA ALA 2 55 -4.448 -1.751 -7.200 1.00 0.00 C ATOM 1691 C ALA 2 55 -3.726 -3.044 -6.817 1.00 0.00 C ATOM 1692 O ALA 2 55 -4.188 -4.137 -7.142 1.00 0.00 O ATOM 1693 CB ALA 2 55 -3.546 -0.785 -7.971 1.00 0.00 C ATOM 0 H ALA 2 55 -4.928 -0.082 -6.028 1.00 0.00 H new ATOM 0 HA ALA 2 55 -5.275 -2.018 -7.857 1.00 0.00 H new ATOM 0 HB1 ALA 2 55 -3.177 -1.273 -8.873 1.00 0.00 H new ATOM 0 HB2 ALA 2 55 -4.115 0.103 -8.246 1.00 0.00 H new ATOM 0 HB3 ALA 2 55 -2.702 -0.496 -7.344 1.00 0.00 H new ATOM 1699 N GLU 2 56 -2.604 -2.877 -6.133 1.00 0.00 N ATOM 1700 CA GLU 2 56 -1.813 -4.017 -5.702 1.00 0.00 C ATOM 1701 C GLU 2 56 -1.385 -3.845 -4.243 1.00 0.00 C ATOM 1702 O GLU 2 56 -0.506 -4.558 -3.762 1.00 0.00 O ATOM 1703 CB GLU 2 56 -0.598 -4.215 -6.610 1.00 0.00 C ATOM 1704 CG GLU 2 56 -0.767 -5.457 -7.489 1.00 0.00 C ATOM 1705 CD GLU 2 56 0.057 -5.335 -8.772 1.00 0.00 C ATOM 1706 OE1 GLU 2 56 -0.144 -4.327 -9.482 1.00 0.00 O ATOM 1707 OE2 GLU 2 56 0.868 -6.255 -9.015 1.00 0.00 O ATOM 0 H GLU 2 56 -2.224 -1.969 -5.866 1.00 0.00 H new ATOM 0 HA GLU 2 56 -2.431 -4.912 -5.776 1.00 0.00 H new ATOM 0 HB2 GLU 2 56 -0.463 -3.335 -7.239 1.00 0.00 H new ATOM 0 HB3 GLU 2 56 0.302 -4.314 -6.003 1.00 0.00 H new ATOM 0 HG2 GLU 2 56 -0.457 -6.344 -6.936 1.00 0.00 H new ATOM 0 HG3 GLU 2 56 -1.820 -5.590 -7.739 1.00 0.00 H new ATOM 1714 N CYS 2 57 -2.027 -2.895 -3.579 1.00 0.00 N ATOM 1715 CA CYS 2 57 -1.724 -2.621 -2.184 1.00 0.00 C ATOM 1716 C CYS 2 57 -2.733 -3.376 -1.316 1.00 0.00 C ATOM 1717 O CYS 2 57 -2.423 -4.439 -0.780 1.00 0.00 O ATOM 1718 CB CYS 2 57 -1.728 -1.121 -1.889 1.00 0.00 C ATOM 1719 SG CYS 2 57 -1.079 -0.661 -0.241 1.00 0.00 S ATOM 0 H CYS 2 57 -2.756 -2.305 -3.981 1.00 0.00 H new ATOM 0 HA CYS 2 57 -0.717 -2.967 -1.953 1.00 0.00 H new ATOM 0 HB2 CYS 2 57 -1.137 -0.614 -2.651 1.00 0.00 H new ATOM 0 HB3 CYS 2 57 -2.749 -0.750 -1.978 1.00 0.00 H new ATOM 1724 N THR 2 58 -3.919 -2.798 -1.205 1.00 0.00 N ATOM 1725 CA THR 2 58 -4.975 -3.402 -0.411 1.00 0.00 C ATOM 1726 C THR 2 58 -5.120 -4.885 -0.758 1.00 0.00 C ATOM 1727 O THR 2 58 -5.584 -5.676 0.063 1.00 0.00 O ATOM 1728 CB THR 2 58 -6.257 -2.598 -0.638 1.00 0.00 C ATOM 1729 OG1 THR 2 58 -6.958 -2.706 0.598 1.00 0.00 O ATOM 1730 CG2 THR 2 58 -7.191 -3.258 -1.654 1.00 0.00 C ATOM 0 H THR 2 58 -4.173 -1.917 -1.652 1.00 0.00 H new ATOM 0 HA THR 2 58 -4.738 -3.370 0.652 1.00 0.00 H new ATOM 0 HB THR 2 58 -6.000 -1.595 -0.979 1.00 0.00 H new ATOM 0 HG1 THR 2 58 -7.865 -2.351 0.492 1.00 0.00 H new ATOM 0 HG21 THR 2 58 -8.085 -2.646 -1.777 1.00 0.00 H new ATOM 0 HG22 THR 2 58 -6.679 -3.350 -2.612 1.00 0.00 H new ATOM 0 HG23 THR 2 58 -7.475 -4.248 -1.297 1.00 0.00 H new ATOM 1738 N PHE 2 59 -4.715 -5.219 -1.974 1.00 0.00 N ATOM 1739 CA PHE 2 59 -4.792 -6.593 -2.439 1.00 0.00 C ATOM 1740 C PHE 2 59 -4.547 -7.575 -1.291 1.00 0.00 C ATOM 1741 O PHE 2 59 -3.419 -7.720 -0.824 1.00 0.00 O ATOM 1742 CB PHE 2 59 -3.696 -6.772 -3.491 1.00 0.00 C ATOM 1743 CG PHE 2 59 -4.222 -6.886 -4.924 1.00 0.00 C ATOM 1744 CD1 PHE 2 59 -5.192 -6.038 -5.361 1.00 0.00 C ATOM 1745 CD2 PHE 2 59 -3.719 -7.834 -5.760 1.00 0.00 C ATOM 1746 CE1 PHE 2 59 -5.679 -6.144 -6.691 1.00 0.00 C ATOM 1747 CE2 PHE 2 59 -4.207 -7.939 -7.088 1.00 0.00 C ATOM 1748 CZ PHE 2 59 -5.176 -7.091 -7.527 1.00 0.00 C ATOM 0 H PHE 2 59 -4.332 -4.561 -2.652 1.00 0.00 H new ATOM 0 HA PHE 2 59 -5.783 -6.793 -2.847 1.00 0.00 H new ATOM 0 HB2 PHE 2 59 -3.009 -5.927 -3.433 1.00 0.00 H new ATOM 0 HB3 PHE 2 59 -3.121 -7.667 -3.253 1.00 0.00 H new ATOM 0 HD1 PHE 2 59 -5.591 -5.285 -4.697 1.00 0.00 H new ATOM 0 HD2 PHE 2 59 -2.948 -8.506 -5.413 1.00 0.00 H new ATOM 0 HE1 PHE 2 59 -6.450 -5.472 -7.039 1.00 0.00 H new ATOM 0 HE2 PHE 2 59 -3.809 -8.693 -7.751 1.00 0.00 H new ATOM 0 HZ PHE 2 59 -5.545 -7.170 -8.539 1.00 0.00 H new